SCHEMBL13209656

SCHEMBL13209656

CC(=O)c1ccc(C#N)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GALR3 O60755 1/20 0.47
RAB9A P51151 1/20 0.47
SLC22A12 Q96S37 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
BRD4 O60885 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AR P10275 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 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
SCHEMBL13209911 0.89 ALDH1A1 (0.47) IMPDH2IMPDH1ALDH1A1GALR3RAB9A
SCHEMBL5754801 0.83 SLC22A12 (0.49) IMPDH2IMPDH1ALDH1A1SLC22A12KDM4E
SCHEMBL10391045 0.82 KDM4E (0.55) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL38471077 0.82 KDM4E (0.55) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL24994508 0.81 IMPDH2 (0.49) IMPDH2IMPDH1ALDH1A1SLC22A12KDM4E
SCHEMBL7671048 0.81 IMPDH2 (0.44) IMPDH2IMPDH1ALDH1A1SLC22A12AR
Bromide SCHEMBL28912382 0.81 SLC22A12 (0.48) IMPDH2IMPDH1ALDH1A1SLC22A12KDM4E
SCHEMBL11140543 0.81 SLC22A12 (0.48) IMPDH2IMPDH1ALDH1A1SLC22A12KDM4E
SCHEMBL3220350 0.81 ATM (0.55) IMPDH2IMPDH1ALDH1A1RAB9ASLC22A12
SCHEMBL5750855 0.81 IMPDH2 (0.53) IMPDH2IMPDH1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023012821-A1 A PROCESS FOR THE PREPARATION OF CARBAMOYL BENZAMIDE PHENYL ISOXAZOLINE CLASS DRUG/S AND ITS INTERMEDIATES ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) 2023-02-09 WO disclosed
CN-113651765-A Synthesis of afurana 江苏君若药业有限公司 2021-11-16 CN disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
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-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
EP-1836201-B2 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2013-09-04 EP 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-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
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 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 (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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 IMPDH2 1259/4885IMPDH1 584/4885ALDH1A1 4197/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 IMPDH2 1259/4885IMPDH1 584/4885ALDH1A1 4197/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 IMPDH2 1259/4885IMPDH1 584/4885ALDH1A1 4197/4885

“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.