SCHEMBL4074615

SCHEMBL4074615

c1ccc(-c2cccc3c2Oc2ccccc2N3)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
KDM4E B2RXH2 7/20 0.38
LMNA P02545 3/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL30462892 0.82 ALOX5 (0.47) ALOX5KDM4ELMNACCR1CCR5
SCHEMBL4072185 0.82 ALOX5 (0.47) ALOX5KDM4ELMNACCR1CCR5
SCHEMBL21392397 0.79 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28363259 0.79 ALOX5 (0.43) ALOX5KDM4ELMNACCR1CCR5
SCHEMBL29390749 0.79 ALOX5 (0.43) ALOX5KDM4ELMNACCR1CCR5
SCHEMBL19794966 0.74 DRD1 (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4072186 0.73 ALOX5 (0.52) ALOX5KDM4ELMNACCR1CCR5
SCHEMBL16889957 0.72 KDM4E (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16889464 0.72 KDM4E (0.37) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19794965 0.71 HTR7 (0.40) KDM4ELMNACCR1CCR5CCR8

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
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
EP-1874731-A4 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS INC (US) 2009-08-05 EP disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
EP-1874731-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-11-23 US disclosed
WO-2006113509-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-10-26 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 (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-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYP2W1, NQO2, UGT2B7 ALOX5 329/4885KDM4E 1852/4885LMNA 2466/4885
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYP2W1, NQO2, UGT2B7 ALOX5 329/4885KDM4E 1852/4885LMNA 2466/4885

“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.