SCHEMBL1919174

SCHEMBL1919174

O=c1[nH]c2ccccc2c2c[nH]cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.69
KDM4E B2RXH2 7/20 0.69
ALDH1A1 P00352 4/20 0.69
GPR3 P46089 2/20 0.69
HSD17B10 Q99714 2/20 0.69
LMNA P02545 2/20 0.69
MEN1 O00255 1/20 0.69
TNKS O95271 1/20 0.69
CYP1A2 P05177 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
KMT2A Q03164 1/20 0.69
PARP15 Q460N3 1/20 0.69
TNKS2 Q9H2K2 1/20 0.69
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
MAPT P10636 1/20 0.52
IDE P14735 1/20 0.52
MPI P34949 1/20 0.52
CACNA1B Q00975 1/20 0.52

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
SCHEMBL29779876 1.00 PARP1 (0.69) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL29593478 0.82 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL30090619 0.82 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL17293 0.82 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL31326568 0.82 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
Water SCHEMBL11582787 0.80 PARP1 (0.95) PARP1KDM4EALDH1A1GPR3HSD17B10
Hydrochloric Acid SCHEMBL30293260 0.80 PARP1 (0.95) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL14355022 0.78 PARP1 (0.75) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL8873438 0.78 PARP1 (0.74) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL1173042 0.76 ALDH1A1 (0.67) PARP1KDM4EALDH1A1GPR3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716438-B Benzo [7,8] indolizine [1,2-c ] quinoline skeleton derivative and synthetic method thereof 常州大学 2023-05-23 CN disclosed
CN-114716438-A Derivative with benzo [7,8] indolizine [1,2-c ] quinoline skeleton and synthetic method thereof 常州大学 2022-07-08 CN disclosed
EP-2326645-B9 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2013-04-17 EP disclosed
EP-2326645-B1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2012-11-07 EP disclosed
US-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMI. RIUN. ANG. FRANC. A.C.R.A.F. S.p.A. (IT) 2011-06-30 US disclosed
EP-2326645-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2011-06-01 EP disclosed
WO-2010012611-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-02-04 WO disclosed
EP-0781282-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINONE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-07-02 EP disclosed
WO-1996008493-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINONE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-03-21 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-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT TPH1, TPH2, HTR1A PARP1 1485/4885KDM4E 3480/4885ALDH1A1 871/4885

“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.