SCHEMBL5527980

SCHEMBL5527980

CN(C(=S)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.71
▸ LMNA P02545 2/20 0.71
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ ALDH1A1 P00352 7/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MYOC Q99972 1/20 0.52
▸ POLB P06746 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ F13A1 P00488 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ ALOX12 P18054 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
SCHEMBL5535333 0.86 ALDH1A1 (0.55) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5531303 0.76 PKM (0.56) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5530519 0.76 POLB (0.58) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL27761062 0.76 POLB (0.55) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5538233 0.76 NPSR1 (0.57) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5531540 0.75 MAPT (0.67) MAPTLMNAALDH1A1POLBEPHX1
SCHEMBL23462473 0.74 MEN1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL7025692 0.74 MAPT (0.73) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7615703 0.74 EPHX1 (0.60) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL11840733 0.74 EPHX1 (0.85) MAPTKMT2AMEN1ALDH1A1NPSR1

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 680/4885LMNA 2932/4885KMT2A 792/4885

“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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