SCHEMBL5873652

SCHEMBL5873652

Cc1cc(N(C)C)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
THRB P10828 1/20 0.45
ACHE P22303 1/20 0.45
TSHR P16473 1/20 0.45
NPBWR1 P48145 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL5910566 0.84 MCHR1 (0.50) KMT2AMEN1
SCHEMBL6559873 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL6848360 0.81 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5911053 0.81 TP53 (0.43) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL5873486 0.79 KDM4E (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5909911 0.79 MEN1 (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6605377 0.77 ALDH1A1 (0.48) KMT2AALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5910860 0.74 CHRNB2 (0.50) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9828594 0.74 TP53BP1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9830188 0.73 CASP3 (0.42) ALDH1A1HTTACHE

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 310/4885MEN1 509/4885ALDH1A1 460/4885

“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.