SCHEMBL90501

SCHEMBL90501

[C-]#[N+]c1ccc(-c2ccc(N)c(C(=O)OC)c2)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
GAA P10253 6/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CFTR P13569 4/20 0.40
GLA P06280 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
ABL1 P00519 1/20 0.37
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34

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
SCHEMBL78380 0.78 AR (0.58) AR
SCHEMBL7529190 0.76 KDM4E (0.66) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL21798988 0.70 KDM4E (0.51) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL11758709 0.70 KDM4E (0.72) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL421466 0.69 IKBKB (0.65) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL4264458 0.68 ABL1 (0.61) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1015993 0.68 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29481401 0.68 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL21798893 0.67 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29543806 0.67 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2012-03-06 US disclosed
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 US disclosed
US-8003784-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2011-08-23 US disclosed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 US disclosed
US-7582755-B2 Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing WYETH (US) 2009-09-01 US 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-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB KDM4E 393/4885ALDH1A1 1061/4885GAA 3888/4885
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB KDM4E 385/4885ALDH1A1 1083/4885GAA 3865/4885

“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.