SCHEMBL3403568

SCHEMBL3403568

COc1ccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
NPC1 O15118 2/20 0.45
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
PIK3CA P42336 1/20 0.45
PKM P14618 1/20 0.43
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
SCD O00767 1/20 0.42
CFTR P13569 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3404772 0.93 THRA (0.47) THRATHRBACACBACACACNR1
SCHEMBL3405541 0.92 THRA (0.49) THRATHRBACACBACACACNR1
SCHEMBL3396967 0.92 THRA (0.49) THRATHRBACACBACACACNR1
SCHEMBL3404849 0.92 TSHR (0.50) RAB9ATHRATHRBNPC1PKM
SCHEMBL3405038 0.91 RAB9A (0.47) RAB9ATHRATHRBNPC1PKM
SCHEMBL3399902 0.89 THRA (0.49) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3405608 0.89 THRA (0.48) RAB9ATHRATHRBACACBACACA
SCHEMBL3399702 0.87 THRA (0.47) RAB9ATHRATHRBNPC1CNR1
SCHEMBL13071966 0.87 THRA (0.48) RAB9ATHRATHRBCNR1ALDH1A1
SCHEMBL3398472 0.86 PKM (0.44) RAB9ANPC1PKMALDH1A1HPGD

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 RAB9A 2102/4885THRA 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.