SCHEMBL16809339

SCHEMBL16809339

COC(=O)c1ccc2nc(C)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.76
NPC1 O15118 12/20 0.76
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
RXFP1 Q9HBX9 2/20 0.76
SMN1; SMN2 Q16637 6/20 0.68
PIK3CA P42336 1/20 0.66
PIK3CB P42338 1/20 0.66
PIK3CG P48736 1/20 0.66
PI4KB Q9UBF8 1/20 0.66
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TNF P01375 1/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
NR2F2 P24468 1/20 0.61
HTT P42858 1/20 0.61
MCL1 Q07820 1/20 0.61
KLF5 Q13887 1/20 0.61

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
SCHEMBL31120903 0.88 NPC1 (0.71) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL2970236 0.88 NPC1 (0.71) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL10314914 0.86 RAB9A (0.67) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL4667327 0.85 NPC1 (0.68) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL1980717 0.84 PIK3CA (0.66) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL10049916 0.84 RAB9A (0.64) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL1261509 0.83 NPC1 (0.75) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL12200481 0.83 RAB9A (0.60) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL212263 0.83 CYP2C9 (0.71) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL21912546 0.83 PIK3CA (0.64) RAB9ANPC1KMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025039979-A1 PROTEIN ARGININE METHYLTRANSFERASE-5 INHIBITOR AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-02-27 WO disclosed
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 EP disclosed
US-11339147-B2 Lactam compound as FXR receptor agonist CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-05-24 US disclosed
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
EP-3632910-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-04-08 EP disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 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 (3 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-11339147-B2 Lactam compound as FXR receptor agonist NR1H4, GPBAR1, SLC10A1 RAB9A 529/4885NPC1 75/4885KMT2A 4170/4885
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST NR1H4, GPBAR1, SLC10A1 RAB9A 529/4885NPC1 75/4885KMT2A 4170/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 RAB9A 2396/4885NPC1 3114/4885KMT2A 4447/4885

“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.