SCHEMBL2425005

SCHEMBL2425005

COc1ccc(-c2nnc(NC(=O)C(N)Cc3ccccc3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
DDX3X O00571 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
CSNK2A2 P19784 1/20 0.56
CSNK2A1 P68400 1/20 0.56
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
XIAP P98170 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2685334 0.84 GPR142 (0.60) KDM4EMAPTHPGDHDAC1HDAC2
SCHEMBL2685328 0.84 GPR142 (0.60) KDM4EMAPTHPGDHDAC1HDAC2
SCHEMBL6665555 0.80 KMT2A (0.65) RAB9AKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL30452307 0.80 KMT2A (0.65) RAB9AKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2685986 0.78 GPR142 (0.67) RAB9ANPC1KDM4ESMN1; SMN2XIAP
SCHEMBL7039856 0.77 HDAC8 (0.66) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4949860 0.76 NPC1 (0.52) RAB9ANPC1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL1600794 0.76 ROCK1 (0.56)
SCHEMBL19302571 0.76 MEN1 (0.55) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL3009223 0.76 CIT (0.53) CSNK2A2CSNK2A1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2891649-B1 Prolylhydroxylase inhibitors and methods of use UNIV CORNELL (US) 2018-04-11 EP disclosed
US-9505741-B2 Prolylhydroxylase inhibitors and methods of use CORNELL UNIVERSITY (US) 2016-11-29 US disclosed
EP-2891649-A1 Prolylhydroxylase inhibitors and methods of use Cornell University (US) 2015-07-08 EP disclosed
US-20130023528-A1 PROLYLHYDROXYLASE INHIBITORS AND METHODS OF USE CORNELL UNIVERSITY (US) 2013-01-24 US disclosed
EP-2536709-A2 PROLYLHYDROXYLASE INHIBITORS AND METHODS OF USE Cornell University (US) 2012-12-26 EP disclosed
WO-2011106226-A2 PROLYLHYDROXYLASE INHIBITORS AND METHODS OF USE CORNELL UNIVERSITY (US) 2011-09-01 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 (1 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-20130023528-A1 PROLYLHYDROXYLASE INHIBITORS AND METHODS OF USE EGLN3, HIF1AN, EGLN2 RAB9A 4030/4885NPC1 1890/4885KMT2A 417/4885

“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.