SCHEMBL434989

SCHEMBL434989

CCn1c(=O)[nH]c2ccc(C)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
PARG Q86W56 1/20 0.53
MPO P05164 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DDR1 Q08345 1/20 0.50
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
DAO P14920 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL10084476 0.88 ADORA3 (0.49) CYP1A2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10086066 0.83 ALDH1A1 (0.54) CYP1A2MEN1KMT2AALDH1A1DDR1
SCHEMBL11014592 0.83 ALDH1A1 (0.47) CYP1A2MEN1KMT2AALDH1A1DDR1
SCHEMBL8987676 0.83 POLB (0.47) CYP1A2MPOMEN1KMT2AALDH1A1
SCHEMBL5712351 0.83 CYP1A2 (0.62) CYP1A2PARGMPOMEN1KMT2A
SCHEMBL30970865 0.83 MPO (0.74) CYP1A2PARGMPOMEN1KMT2A
SCHEMBL8987717 0.82 POLB (0.51) MPOALDH1A1HSD17B10KDM4EPOLB
SCHEMBL10085013 0.82 DDR1 (0.52) CYP1A2MEN1KMT2AALDH1A1DDR1
SCHEMBL10084481 0.82 KDM4E (0.50) PARGMEN1KMT2AALDH1A1DDR1
SCHEMBL10085093 0.82 PARG (0.57) CYP1A2PARGMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2590975-B1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-08-19 EP disclosed
US-8859544-B2 Indolizine derivatives, process for the preparation thereof and therapeutic use thereof SANOFI (FR) 2014-10-14 US disclosed
US-8859544-B2 Indolizine derivatives, process for the preparation thereof and therapeutic use thereof SANOFI (FR) 2014-10-14 US disclosed
US-20130116249-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 US disclosed
US-20130116249-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2012004731-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-01-12 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 (2 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-20130116249-A1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, INMT, IDO1 CYP1A2 232/4885PARG 1457/4885MPO 3186/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH CYP1A2 176/4885PARG 4737/4885MPO 566/4885

“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.