SCHEMBL3404145

SCHEMBL3404145

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CNR1 P21554 1/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PPARA Q07869 1/20 0.44
HTR2C P28335 4/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
GHSR Q92847 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
SCHEMBL3402228 0.92 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CNR1MAPTKMT2A
SCHEMBL3398944 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CNR1MAPTHPGD
SCHEMBL3405561 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CNR1MAPTKMT2A
SCHEMBL3398926 0.87 TRPM8 (0.54) ALDH1A1SMN1; SMN2CNR1HPGDHTR2C
SCHEMBL3404795 0.87 CNR1 (0.53) ALDH1A1SMN1; SMN2CNR1KMT2AMEN1
SCHEMBL912117 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CNR1MAPTKMT2A
SCHEMBL3402295 0.86 CNR1 (0.46) ALDH1A1SMN1; SMN2CNR1KMT2AMEN1
SCHEMBL3405417 0.85 KMT2A (0.57) ALDH1A1SMN1; SMN2CNR1MAPTKMT2A
SCHEMBL3400921 0.85 CNR1 (0.66) ALDH1A1SMN1; SMN2CNR1MAPTKMT2A
SCHEMBL3401828 0.85 HRH3 (0.52) ALDH1A1CNR1KMT2AHPGDHTR2C

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 ALDH1A1 916/4885SMN1; SMN2 1605/4885CNR1 35/4885

“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.