SCHEMBL6165738

SCHEMBL6165738

COC(=O)c1cccc(C(=O)NNC(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
TSHR P16473 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KAT6A Q92794 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5558537 0.87 MYC (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6165320 0.86 ALDH1A1 (0.46) RAB9ANPC1LOXL2TSHRCYP4F2
SCHEMBL2505911 0.84 ALDH1A1 (0.53) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL558157 0.82 TSHR (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1401153 0.82 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15146240 0.82 MEN1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7074334 0.82 MEN1 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL265731 0.82 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2MEN1KMT2ALOXL2
SCHEMBL24934247 0.81 KAT6A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13754826 0.81 HDAC8 (0.54) RAB9ANPC1SMN1; SMN2KAT6A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2018-10-30 US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 US disclosed
EP-3262041-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2018-01-03 EP disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-9540320-B2 2017-01-10 US disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 WO disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 WO disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 WO disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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 (4 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-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, CIT RAB9A 637/4885NPC1 1326/4885SMN1; SMN2 4416/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 RAB9A 1379/4885NPC1 947/4885SMN1; SMN2 528/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 RAB9A 2489/4885NPC1 795/4885SMN1; SMN2 4053/4885
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT RAB9A 637/4885NPC1 1326/4885SMN1; SMN2 4416/4885

“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.