SCHEMBL3400929

SCHEMBL3400929

Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.49
CHRM4 P08173 3/20 0.48
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
WNT1 P04628 1/20 0.43
DYRK1A Q13627 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
SCHEMBL3400096 0.99 CHRM4 (0.49) SCN9ACHRM4MAPTTSHRTP53
SCHEMBL3405260 0.93 GAA (0.48) CHRM4MAPTTP53NPC1GAA
SCHEMBL3405465 0.92 CHRM4 (0.47) CHRM4MAPTTP53NPC1GAA
SCHEMBL3399475 0.90 CHRM4 (0.51) SCN9ACHRM4MAPTTSHRTP53
SCHEMBL3402600 0.90 CHRM4 (0.49) SCN9ACHRM4MAPTTSHRNPC1
SCHEMBL3402155 0.89 CD274 (0.55) SCN9ACHRM4MAPTTP53NPC1
SCHEMBL3406027 0.86 CHRM4 (0.50) SCN9ACHRM4NPC1GAAHPGD
SCHEMBL3396893 0.85 SCN9A (0.48) SCN9ACHRM4MAPTTSHRNPC1
SCHEMBL3400517 0.85 GAA (0.47) SCN9ACHRM4MAPTTP53NPC1
SCHEMBL3405360 0.85 SCN9A (0.49) SCN9ACHRM4TSHRGAANPSR1

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 SCN9A 1350/4885CHRM4 289/4885MAPT 342/4885

“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.