SCHEMBL914929

SCHEMBL914929

O=C(O)c1cc2ccccc2n1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.57
MCL1 Q07820 4/20 0.56
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
CCR2 P41597 5/20 0.50
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
LDHA P00338 2/20 0.43
PLA2G10 O15496 2/20 0.42
GFER P55789 1/20 0.39

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
SCHEMBL27673086 0.90 MCL1 (0.53) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL10775990 0.90 CCR2 (0.57) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL4445494 0.81 MCL1 (0.62) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL30304240 0.78 DAO (0.54) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL22396277 0.78 DAO (0.54) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL30844614 0.78 DAO (0.54) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL30310709 0.78 MCL1 (0.57) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL5002608 0.78 DAO (0.54) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL4542678 0.78 MCL1 (0.57) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL7492984 0.76 CCR2 (0.57) DAOMCL1ALDH1A1TSHRCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO disclosed
EP-0249885-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-12-23 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DAO 2243/4885MCL1 2195/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DAO 2209/4885MCL1 2202/4885ALDH1A1 1732/4885

“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.