SCHEMBL5873616

SCHEMBL5873616

COC(=O)c1cc(Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 5/20 0.52
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
ELANE P08246 1/20 0.46
CTRB1 P17538 1/20 0.46
PLA2G2A P14555 4/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
OPRK1 P41145 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43
EIF4A1 P60842 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL22468805 0.81 KDM4E (0.71) KDM4EALDH1A1PLA2G2APOLBMAPT
SCHEMBL5214685 0.80 ALDH1A1 (0.58) ALDH1A1F2PLAUKLKB1ELANE
SCHEMBL11894679 0.79 KDM4E (0.68) KDM4EALDH1A1PLA2G2APOLBMAPT
SCHEMBL20472457 0.79 KDM4E (0.68) KDM4EALDH1A1PLA2G2APOLBMAPT
SCHEMBL31544232 0.79 L3MBTL1 (0.71) KDM4EALDH1A1PLA2G2APOLBMAPT
SCHEMBL30894816 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AOPRK1MEN1
SCHEMBL11894860 0.77 EIF4A1 (0.53) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL30365659 0.76 KDM4E (1.00) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL5873486 0.76 KDM4E (0.54) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL1900613 0.76 KDM4E (1.00) KDM4EALDH1A1POLBMAPTKMT2A

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
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 US disclosed
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 (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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R KDM4E 822/4885ALDH1A1 460/4885F2 4639/4885
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 KDM4E 2321/4885ALDH1A1 2046/4885F2 450/4885

“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.