SCHEMBL5531686

SCHEMBL5531686

COc1ccc(NC(=S)N(C)C2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ MAPT P10636 8/20 0.58
▸ HPGD P15428 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ RAB9A P51151 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ABCC1 P33527 1/20 0.47
▸ TP53 P04637 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
SCHEMBL5529178 0.85 POLB (0.55) ALDH1A1MAPTSMN1; SMN2GAARAB9A
SCHEMBL5527031 0.82 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2GAARAB9A
SCHEMBL5531303 0.81 PKM (0.56) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL5538233 0.78 NPSR1 (0.57) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL5530519 0.76 POLB (0.58) ALDH1A1MAPTSMN1; SMN2GAARAB9A
SCHEMBL8114736 0.76 ALDH1A1 (0.64) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL27766750 0.75 RXFP1 (0.65) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL8777820 0.75 ALDH1A1 (0.62) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL5525562 0.75 RAB9A (0.62) ALDH1A1MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL27761062 0.74 POLB (0.55) ALDH1A1MAPTSMN1; SMN2GAARAB9A

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 680/4885HPGD 3176/4885

“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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