SCHEMBL5535333

SCHEMBL5535333

CN(C(=S)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.55
▸ MAPT P10636 6/20 0.52
▸ LMNA P02545 5/20 0.52
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ POLB P06746 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ GAA P10253 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ABCC1 P33527 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NAMPT P43490 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
SCHEMBL5527980 0.86 MAPT (0.71) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5530519 0.76 POLB (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL27761062 0.76 POLB (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5523816 0.75 LMNA (0.57) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL5531303 0.74 PKM (0.56) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5538233 0.73 NPSR1 (0.57) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5463743 0.73 MAPT (0.77) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL11767885 0.72 ALDH1A1 (0.82) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5528163 0.72 MEN1 (0.62) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5524600 0.71 LMNA (0.62) ALDH1A1MAPTLMNAMEN1KMT2A

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 ALDH1A1 2069/4885MAPT 680/4885LMNA 2932/4885

“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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