SCHEMBL5531303

SCHEMBL5531303

COc1cc([N+](=O)[O-])ccc1NC(=S)N(C)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ EPHX1 P07099 2/20 0.56
▸ ALDH1A1 P00352 8/20 0.54
▸ GAA P10253 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ GLA P06280 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL5538233 0.92 NPSR1 (0.57) HTTALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5530519 0.86 POLB (0.58) HTTALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5531686 0.81 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL28595943 0.78 PKM (0.66) PKMHTTEPHX1ALDH1A1GAA
SCHEMBL5529178 0.77 POLB (0.55) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL5527980 0.76 MAPT (0.71) EPHX1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL29654104 0.76 EPHX1 (0.72) PKMHTTEPHX1ALDH1A1GAA
SCHEMBL5529555 0.76 EPHX1 (0.72) PKMHTTEPHX1ALDH1A1GAA
SCHEMBL5530231 0.75 POLB (0.58) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL5535333 0.74 ALDH1A1 (0.55) HTTEPHX1ALDH1A1GAASMN1; SMN2

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 PKM 2314/4885HTT 583/4885EPHX1 1944/4885

“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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