SCHEMBL5873698

SCHEMBL5873698

CCc1cc(Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
OPRK1 P41145 1/20 0.50
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 2/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APEX1 P27695 1/20 0.43
NPBWR1 P48145 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 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
SCHEMBL22926868 0.87 KMT2A (0.47) KMT2AOPRK1MEN1ALDH1A1POLB
SCHEMBL8368774 0.84 KMT2A (0.50) KMT2AOPRK1MEN1ALDH1A1POLB
SCHEMBL5873486 0.82 KDM4E (0.54) KMT2AOPRK1MEN1ALDH1A1ACHE
SCHEMBL30894837 0.81 KMT2A (0.55) KMT2AOPRK1MEN1ALDH1A1ACHE
SCHEMBL4658369 0.81 KMT2A (0.55) KMT2AOPRK1MEN1ALDH1A1ACHE
SCHEMBL6559873 0.80 KMT2A (0.43) KMT2AOPRK1MEN1ALDH1A1KDM4E
SCHEMBL22926819 0.79 EIF4A1 (0.52) KMT2AOPRK1MEN1ALDH1A1KDM4E
SCHEMBL30894816 0.78 ALDH1A1 (0.67) KMT2AOPRK1MEN1ALDH1A1ACHE
SCHEMBL29230161 0.75 KMT2A (0.49) KMT2AOPRK1MEN1ALDH1A1ACHE
SCHEMBL11822863 0.75 ELANE (0.64) KMT2AOPRK1MEN1ALDH1A1POLB

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
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R KMT2A 310/4885OPRK1 43/4885MEN1 509/4885

“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.