SCHEMBL5538233

SCHEMBL5538233

COc1ccc([N+](=O)[O-])cc1NC(=S)N(C)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HTT P42858 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPT P10636 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ LMNA P02545 4/20 0.50
▸ POLB P06746 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.47
▸ ABCC1 P33527 1/20 0.47

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
SCHEMBL5531303 0.92 PKM (0.56) NPSR1L3MBTL1HTTALDH1A1SMN1; SMN2
SCHEMBL5530519 0.83 POLB (0.58) NPSR1HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL5530231 0.82 POLB (0.58) L3MBTL1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5531686 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTGAAMEN1
SCHEMBL5534284 0.78 ABCC1 (0.55) NPSR1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5527980 0.76 MAPT (0.71) NPSR1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL21663545 0.75 NPSR1 (0.88) NPSR1L3MBTL1HTTALDH1A1SMN1; SMN2
SCHEMBL5534594 0.75 HTT (0.72) HTTALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5529178 0.74 POLB (0.55) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL18194711 0.74 NPSR1 (0.66) NPSR1L3MBTL1ALDH1A1SMN1; SMN2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 — — US 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 NPSR1 62/4885L3MBTL1 3309/4885HTT 583/4885

“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.

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