SCHEMBL2809797

SCHEMBL2809797

CCc1c(C(=O)O)nc2ccccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 5/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DYRK1A Q13627 1/20 0.43
DHODH Q02127 3/20 0.43
PDE10A Q9Y233 2/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4A O75164 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
GLA P06280 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL8780485 0.85 POLB (0.49) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL20606236 0.83 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2KDM4ETDP1
SCHEMBL4264702 0.80 KDM4E (0.47) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL296952 0.79 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2KDM4EDYRK1A
SCHEMBL29849579 0.79 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2KDM4EDYRK1A
SCHEMBL20606741 0.79 KMT2A (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL2908831 0.78 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2DYRK1ADHODH
SCHEMBL27999716 0.78 POLB (0.50) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL6818967 0.78 GPR3 (0.50) ALDH1A1SMN1; SMN2KDM4ERXFP1TDP1
SCHEMBL27775101 0.78 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2KDM4EDYRK1A

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
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8609845-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2013-12-17 US disclosed
EP-1836201-B2 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2013-09-04 EP disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-1836201-B1 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2010-08-11 EP disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
EP-1836201-A1 PYRROLIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2007-09-26 EP disclosed
US-20060167066-A1 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2006-07-27 US disclosed
WO-2006069063-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2006-06-29 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 (5 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 2202/4885MAPT 2380/4885SMN1; SMN2 3903/4885
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ALDH1A1 4197/4885MAPT 2677/4885SMN1; SMN2 2913/4885
US-20060167066-A1 Pyrrolidine inhibitors of IAP BIRC5, XIAP, BIRC2 ALDH1A1 4211/4885MAPT 2689/4885SMN1; SMN2 2937/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ALDH1A1 4197/4885MAPT 2677/4885SMN1; SMN2 2913/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ALDH1A1 4197/4885MAPT 2677/4885SMN1; SMN2 2913/4885

“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.