SCHEMBL4148152

SCHEMBL4148152

[c]1cc2c(cn1)NCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 2/20 0.35
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
PRKCI P41743 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL909876 0.87 ALDH1A1 (0.41) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL5759505 0.76 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL578610 0.71 ITGB2 (0.35)
SCHEMBL1190056 0.69 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL1191190 0.69 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL4128634 0.68
SCHEMBL428302 0.68 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10MAPTGRM5
Hydrochloric Acid SCHEMBL21824320 0.68 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTGRM5
Bromide SCHEMBL29575413 0.68 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL9901767 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP claimed
EP-2738163-B1 AMIDINE COMPOUND OR SALT THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-20 EP disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
EP-2738163-A1 AMIDINE COMPOUND OR SALT THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 ALDH1A1 3789/4885GAA 4547/4885HSD17B10 1478/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 ALDH1A1 3409/4885GAA 4567/4885HSD17B10 1172/4885
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF ERG28, ARG1, THEM6 ALDH1A1 3468/4885GAA 2693/4885HSD17B10 1953/4885

“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.