SCHEMBL14445019

SCHEMBL14445019

CCNC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.62
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KAT6A Q92794 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ACACB O00763 1/20 0.47
GPR139 Q6DWJ6 4/20 0.47
ATM Q13315 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL30277542 1.00 TP53BP1 (0.62) TP53BP1KMT2AGAAHSD17B10KAT6A
SCHEMBL30277616 0.87 TP53BP1 (0.67) TP53BP1KMT2AGAAHSD17B10KAT6A
SCHEMBL104557 0.87 TP53BP1 (0.67) TP53BP1KMT2AGAAHSD17B10KAT6A
SCHEMBL26078959 0.85 GAA (0.78) TP53BP1KMT2AGAAHSD17B10KAT6A
SCHEMBL15592373 0.84 TP53BP1 (0.59) TP53BP1KMT2AGAAHSD17B10KAT6A
SCHEMBL21345718 0.84 TP53BP1 (0.67) TP53BP1KMT2AGAAHSD17B10KAT6A
SCHEMBL9713054 0.84 SMN1; SMN2 (0.67) KMT2AGAAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL10080947 0.83 TP53BP1 (0.70) TP53BP1KMT2AGAAHSD17B10SMN1; SMN2
SCHEMBL13702318 0.83 KMT2A (0.49) TP53BP1KMT2AGAAHSD17B10SMN1; SMN2
SCHEMBL21841727 0.83 ALDH1A1 (0.58) TP53BP1KMT2AGAAHSD17B10KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
US-20230193361-A1 METHODS AND COMPOSITIONS USEFUL FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-22 US disclosed
US-10765681-B2 Purine compounds possessing anticancer activity ACADEMIA SINICA (TW) 2020-09-08 US disclosed
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-7247725-B2 Gamma-aminoamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-07-24 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 (6 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-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 TP53BP1 637/4885KMT2A 2137/4885GAA 1917/4885
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 TP53BP1 1262/4885KMT2A 2642/4885GAA 853/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 TP53BP1 809/4885KMT2A 3206/4885GAA 242/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 TP53BP1 4146/4885KMT2A 2352/4885GAA 805/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 TP53BP1 3388/4885KMT2A 2196/4885GAA 907/4885
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 TP53BP1 4038/4885KMT2A 912/4885GAA 3330/4885

“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.