SCHEMBL13072002

SCHEMBL13072002

Cc1nc(-c2cc(C(F)(F)F)ccc2Cl)sc1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.46
CES2 O00748 1/20 0.42
LRRK2 Q5S007 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL3 Q96JM7 6/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
NPY2R P49146 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MBTD1 Q05BQ5 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3397121 1.00 HTR2C (0.46) HTR2CCES2LRRK2HRH3LMNA
SCHEMBL3399714 0.92 HTR2C (0.43) HTR2CCES2LMNA
SCHEMBL13071979 0.88 HTR2C (0.50) HTR2CCES2LRRK2HRH3LMNA
SCHEMBL3398930 0.88 HTR2C (0.50) HTR2CCES2LRRK2HRH3LMNA
SCHEMBL3401794 0.85 NPC1 (0.52) HTR2CHRH3LMNAL3MBTL3L3MBTL1
SCHEMBL13071743 0.84 HTR2C (0.60) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL3405116 0.84 HTR2C (0.60) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL3402202 0.84 HTR2C (0.44) HTR2CCES2CYP3A4
SCHEMBL13310094 0.84 THRA (0.48) HTR2CLRRK2HRH3LMNAL3MBTL3
SCHEMBL3400910 0.84 THRA (0.48) HTR2CLRRK2HRH3LMNAL3MBTL3

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 3 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

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 416/4885CES2 1068/4885LRRK2 1567/4885

“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.