SCHEMBL13071985

SCHEMBL13071985

COc1ccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c(O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
PKM P14618 1/20 0.41
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3400850 0.93 HTR2C (0.45) HTR2CNPC1RAB9AALDH1A1HPGD
SCHEMBL13072014 0.92 HTR2C (0.47) HTR2CALDH1A1HPGDHRH3
SCHEMBL13072012 0.92 HTR2C (0.47) HTR2CALDH1A1HPGDHRH3
SCHEMBL3402627 0.85 RAB9A (0.50) HTR2CNPC1RAB9AALDH1A1HPGD
SCHEMBL3405361 0.85 RAB9A (0.53) HTR2CNPC1RAB9AALDH1A1HPGD
SCHEMBL3400125 0.85 HTR2C (0.56) HTR2CNPC1RAB9AALDH1A1HPGD
SCHEMBL3401060 0.84 HTR2C (0.48) HTR2CALDH1A1HPGDHRH3
SCHEMBL3399981 0.84 HTR2C (0.48) HTR2CALDH1A1HPGDHRH3
SCHEMBL14546080 0.84 HTR2C (0.45) HTR2CALDH1A1HPGDHRH3NPSR1
SCHEMBL3402441 0.83 NPC1 (0.47) HTR2CNPC1RAB9AALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885NPC1 2005/4885RAB9A 2102/4885

“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.