SCHEMBL6204514

SCHEMBL6204514

CCCc1cc(Cl)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.47
OPRK1 P41145 1/20 0.47
MCHR1 Q99705 1/20 0.47
EIF4A1 P60842 6/20 0.47
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPBWR1 P48145 1/20 0.44
APEX1 P27695 1/20 0.44
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6201684 0.84 KDM4E (0.50) KDM4EKMT2AMCHR1EIF4A1MEN1
SCHEMBL3763346 0.79 LMNA (0.58) KMT2AOPRK1MEN1LMNAMAPT
SCHEMBL4658369 0.78 KMT2A (0.55) KMT2AOPRK1MEN1NPBWR1APEX1
SCHEMBL30894837 0.78 KMT2A (0.55) KMT2AOPRK1MEN1NPBWR1APEX1
SCHEMBL6201951 0.78 MCHR1 (0.47) KDM4EMCHR1EIF4A1MAPTNPBWR1
SCHEMBL14127817 0.77 KDM4E (0.55) KDM4EKMT2AMCHR1LMNAMAPT
SCHEMBL6605853 0.76 KMT2A (0.50) KMT2AOPRK1MEN1MAPTAPEX1
SCHEMBL17478740 0.76 KMT2A (0.52) KDM4EKMT2AOPRK1MEN1MAPT
SCHEMBL6603601 0.75 KMT2A (0.49) KMT2AOPRK1MEN1LMNAMAPT
SCHEMBL6534272 0.75 ELANE (0.64) KMT2AOPRK1EIF4A1MEN1MAPT

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-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R KDM4E 480/4885KMT2A 377/4885OPRK1 45/4885

“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.