SCHEMBL7916573

SCHEMBL7916573

Cc1ccc2sc(C)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
DYRK1A Q13627 1/20 0.38
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL8113716 0.79 SMN1; SMN2 (0.47) CYP1A2SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL8120260 0.79 CYP1A2 (0.41) CYP1A2SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL8269418 0.79 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1HSD17B10NPSR1
SCHEMBL8357703 0.79 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1HSD17B10NPSR1
SCHEMBL25646052 0.78 CYP1A2 (0.39) CYP1A2SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL8284896 0.76 KMT2A (0.39) CYP1A2SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL31003328 0.75 NQO1 (0.44) SMN1; SMN2RAB9ANPC1HSD17B10NPSR1
SCHEMBL31003274 0.74 SMN1; SMN2 (0.39) CYP1A2SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL31003152 0.74 NPC1 (0.46) SMN1; SMN2RAB9ANPC1HSD17B10ALDH1A1
SCHEMBL17448606 0.74 RAB9A (0.54) SMN1; SMN2RAB9ANPC1HSD17B10MAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
EP-3426653-B1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2021-12-15 EP disclosed
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA 2020-09-24 US disclosed
US-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2019-03-07 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8188120-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (7 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-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN CYP1A2 4547/4885SMN1; SMN2 23/4885RAB9A 906/4885
US-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CYP1A2 2432/4885SMN1; SMN2 787/4885RAB9A 3698/4885
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN CYP1A2 4547/4885SMN1; SMN2 23/4885RAB9A 906/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CYP1A2 1188/4885SMN1; SMN2 3212/4885RAB9A 2581/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CYP1A2 1188/4885SMN1; SMN2 3271/4885RAB9A 2582/4885
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CYP1A2 1188/4885SMN1; SMN2 3271/4885RAB9A 2582/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CYP1A2 1106/4885SMN1; SMN2 1489/4885RAB9A 3890/4885

“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.