SCHEMBL4277348

SCHEMBL4277348

NC(=O)[CH]c1ccc(=O)[nH]c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.42
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.37
PADI4 Q9UM07 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
GRM8 O00222 1/20 0.31
GRM4 Q14833 1/20 0.31
OGA O60502 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1423375 0.73
SCHEMBL3719326 0.71
SCHEMBL2366245 0.70 POLB (0.44) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL4268002 0.69 IDH1 (0.40) IDH1L3MBTL1GRM8GRM4MEN1
Hydrochloric Acid SCHEMBL30612668 0.68 L3MBTL1 (0.46) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL13575346 0.68 IDH1 (0.44) IDH1ALDH1A1ESR1PADI4POLB
SCHEMBL13575341 0.67 KDM4E (0.50) IDH1ESR1PADI4
SCHEMBL17583856 0.66 ALDH5A1 (0.52) ALDH1A1KMT2A
SCHEMBL4147484 0.66 ALDH5A1 (0.52) ALDH1A1ESR1MEN1KMT2A
SCHEMBL21459915 0.64 IDH1 (0.41) IDH1ALDH1A1ESR1PADI4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 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-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 IDH1 1759/4885ALDH1A1 911/4885ESR1 3617/4885

“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.