SCHEMBL13435236

SCHEMBL13435236

COC(=O)c1ccccc1-c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
SLC6A3 Q01959 4/20 0.58
SLC6A4 P31645 3/20 0.58
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.56
CFTR P13569 1/20 0.55
SLC6A2 P23975 1/20 0.55
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 2/20 0.55
NR4A2 P43354 3/20 0.53
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
SLC2A1 P11166 1/20 0.52
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50

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
SCHEMBL30118927 1.00 KMT2A (0.61) KMT2ASLC6A3SLC6A4MAPK1ALDH1A1
SCHEMBL29644805 1.00 KMT2A (0.61) KMT2ASLC6A3SLC6A4MAPK1ALDH1A1
SCHEMBL15830641 0.86 KMT2A (0.53) KMT2AMAPK1ALDH1A1CFTRKDM4E
SCHEMBL27655231 0.86 KMT2A (0.48) KMT2ASLC6A3SLC6A4MAPK1ALDH1A1
SCHEMBL13733857 0.85 SLC6A3 (0.59) KMT2ASLC6A3SLC6A4ALDH1A1CFTR
SCHEMBL28699640 0.85 CFTR (0.54) KMT2ASLC6A3SLC6A4MAPK1ALDH1A1
SCHEMBL28674023 0.85 KMT2A (0.52) KMT2ASLC6A3SLC6A4MAPK1ALDH1A1
SCHEMBL3515844 0.84 NR4A2 (0.57) KMT2AMAPK1ALDH1A1CFTRNR4A2
SCHEMBL27598660 0.83 SLC6A3 (0.66) KMT2ASLC6A3SLC6A4ALDH1A1CFTR
SCHEMBL3517715 0.83 RAB9A (0.59) KMT2AMAPK1ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835704-B Sulfonylbenzamide derivatives as BCL-2 inhibitors 苏州亚盛药业有限公司 2023-10-27 CN disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
CN-101553224-A Novel imidazothiazoles and imidazoxazoles ABBOTT LAB (US) 2009-10-07 CN disclosed
CN-1505603-A Substituted benzoic ac id derivatives exhibiting nf-kappab inhibiting activity ��һ��������ҩ��ʽ���� 2004-06-16 CN 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 (1 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL KMT2A 2764/4885SLC6A3 3876/4885SLC6A4 3493/4885

“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.