SCHEMBL3307010

SCHEMBL3307010

[c]1sc2ccccc2c1-c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.46
RAB9A P51151 9/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 10/20 0.44
HPGD P15428 9/20 0.44
KDM4E B2RXH2 8/20 0.44
MAPT P10636 6/20 0.44
USP2 O75604 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 6/20 0.44
HCRTR1 O43613 2/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL29531707 0.74 NPC1 (0.69) NPC1RAB9AMEN1KMT2AATM
SCHEMBL824375 0.74 NPC1 (0.69) NPC1RAB9AMEN1KMT2AATM
SCHEMBL5324075 0.73 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29627559 0.71 ALDH1A1 (0.65) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30682 0.71 ALDH1A1 (0.65) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30096340 0.71 ALDH1A1 (0.65) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2493869 0.71 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2046968 0.71 NPC1 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8964867 0.71 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31170 0.70 NPC1 (0.81) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041276-A Organic compound, light-emitting element, and light-emitting element material 东丽先端材料研究开发(中国)有限公司 2023-05-02 CN disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed
EP-1399441-B1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2006-07-05 EP disclosed
EP-0707567-B1 PROCESS FOR THE SYNTHESIS OF AZETIDINONES SCHERING CORP (US) 2001-09-12 EP disclosed
EP-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP disclosed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 WO disclosed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 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 (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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 NPC1 3134/4885RAB9A 1596/4885MEN1 1275/4885

“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.