SCHEMBL657637

SCHEMBL657637

Cc1ccc2oc(C(=O)c3ccccc3)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ALDH1A1 P00352 2/20 0.70
MAPT P10636 2/20 0.70
HPGD P15428 2/20 0.70
TSHR P16473 2/20 0.69
MAPK1 P28482 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CLK1 P49759 2/20 0.56
DYRK1A Q13627 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55

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
SCHEMBL30629239 1.00 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30629234 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18012110 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3379125 0.83 CLK1 (0.82) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14994660 0.83 FLT3 (0.75) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8761650 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18012111 0.82 MAPT (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL656592 0.82 ADORA3 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL656593 0.82 ADORA3 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL656747 0.82 ADORA3 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 US disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS LITAF, IL1B, CYP2F1 NPC1 4439/4885RAB9A 4111/4885SMN1; SMN2 3909/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB NPC1 2687/4885RAB9A 2902/4885SMN1; SMN2 4389/4885

“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.