SCHEMBL270344

SCHEMBL270344

CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
HTT P42858 3/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
HPGD P15428 6/20 0.69
ALOX15 P16050 1/20 0.69
MLYCD O95822 1/20 0.66
GAA P10253 1/20 0.65
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
PHGDH O43175 1/20 0.63
HSP90AA1 P07900 1/20 0.62
HSP90AB1 P08238 1/20 0.62
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
EPHX2 P34913 1/20 0.58
AKR1C3 P42330 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17806573 0.95 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL17886723 0.88 HPGD (0.67) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL25018488 0.87 MLYCD (0.62) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL17886717 0.86 L3MBTL3 (0.73) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL10720943 0.86 PHGDH (0.81) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL2627051 0.85 HSP90AA1 (0.61) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL14461333 0.84 MLYCD (0.59) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL270727 0.84 MEN1 (0.90) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4406614 0.84 MEN1 (0.96) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL31499366 0.83 EPHX2 (0.79) SMN1; SMN2MEN1KMT2AHPGDMLYCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 US disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ALDH1A1 1635/4885SMN1; SMN2 2264/4885HTT 2990/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF ALDH1A1 1973/4885SMN1; SMN2 1976/4885HTT 4257/4885
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 ALDH1A1 4805/4885SMN1; SMN2 4471/4885HTT 3256/4885
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 ALDH1A1 345/4885SMN1; SMN2 2333/4885HTT 4879/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885SMN1; SMN2 4746/4885HTT 3657/4885
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 ALDH1A1 3279/4885SMN1; SMN2 4806/4885HTT 2429/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B ALDH1A1 2661/4885SMN1; SMN2 536/4885HTT 750/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885SMN1; SMN2 4746/4885HTT 3657/4885
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 109/4885SMN1; SMN2 4355/4885HTT 3966/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 ALDH1A1 1270/4885SMN1; SMN2 4251/4885HTT 2807/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 ALDH1A1 1929/4885SMN1; SMN2 1840/4885HTT 3220/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885SMN1; SMN2 4779/4885HTT 1153/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885SMN1; SMN2 4779/4885HTT 1153/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ALDH1A1 804/4885SMN1; SMN2 4242/4885HTT 2013/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885SMN1; SMN2 4779/4885HTT 1153/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B ALDH1A1 2661/4885SMN1; SMN2 536/4885HTT 750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.