SCHEMBL5527031

SCHEMBL5527031

COc1ccc(NC(=S)N(C)C2CCCCC2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 3/20 0.52
▸ ABCC1 P33527 2/20 0.50
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL5534979 0.85 ABCC1 (0.58) MAPTGAASMN1; SMN2POLBABCC1
SCHEMBL5538373 0.83 POLB (0.55) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5531686 0.82 ALDH1A1 (0.58) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5530231 0.78 POLB (0.58) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5530519 0.77 POLB (0.58) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL27782882 0.74 ABCC1 (0.57) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5531303 0.73 PKM (0.56) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5534284 0.71 ABCC1 (0.55) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL14906226 0.71 S1PR1 (0.77) —
SCHEMBL30639441 0.70 SIGMAR1 (0.52) ALDH1A1GAASMN1; SMN2LMNANPC1

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 MAPT 680/4885ALDH1A1 2069/4885GAA 266/4885

“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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