SCHEMBL3400922

SCHEMBL3400922

COc1ccc2cc(-c3nc(C)c(C(=O)N4CCN(C5CCCC5)CC4)s3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM2B Q8NHM5 4/20 0.45
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 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
SCHEMBL3405508 0.92 HRH3 (0.55) PKMTHRATHRBHRH3NPC1
SCHEMBL3401296 0.91 THRA (0.51) THRATHRBHRH3CNR1ALDH1A1
SCHEMBL3405192 0.91 THRA (0.51) THRATHRBHRH3CNR1ALDH1A1
SCHEMBL3404388 0.91 HRH3 (0.54) PKMTHRATHRBHRH3NPC1
SCHEMBL3398454 0.90 MAPK1 (0.51) PKMTHRATHRBHRH3NPC1
SCHEMBL3405797 0.90 CNR1 (0.52) THRATHRBHRH3CNR1ALDH1A1
SCHEMBL3404849 0.88 TSHR (0.50) PKMTHRATHRBNPC1RAB9A
SCHEMBL3405038 0.87 RAB9A (0.47) PKMTHRATHRBHRH3NPC1
SCHEMBL3401305 0.86 KMT2A (0.48) PKMNPC1RAB9AALDH1A1GAA
SCHEMBL3404822 0.86 THRA (0.50) PKMTHRATHRBHRH3RAB9A

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 5 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
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 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 PKM 1297/4885THRA 38/4885THRB 60/4885

“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.