SCHEMBL5109491

SCHEMBL5109491

NC(=O)CC(N)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.57
SIRT1 Q96EB6 6/20 0.45
CYP1A2 P05177 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL5109489 1.00 SCN10A (0.57) SCN10ASIRT1CYP1A2TAAR1RAB9A
SCHEMBL5794188 0.89 SCN10A (0.45) SCN10ASIRT1CYP1A2TAAR1RAB9A
SCHEMBL5104211 0.85 SCN10A (0.45) SCN10ACYP1A2TAAR1RAB9AHSD17B10
SCHEMBL5100732 0.83 SCN10A (0.53) SCN10ACYP1A2TAAR1RAB9AGAA
SCHEMBL4149209 0.83 SCN10A (0.53) SCN10ACYP1A2TAAR1RAB9AGAA
SCHEMBL5101032 0.83 SCN10A (0.53) SCN10ACYP1A2TAAR1RAB9AGAA
SCHEMBL15172667 0.82 SCN10A (0.58) SCN10ATAAR1HSD17B10GAA
SCHEMBL5099820 0.81 CYP1A2 (0.44) SCN10ACYP1A2TAAR1RAB9AGAA
SCHEMBL15310955 0.81 SCN10A (0.82) SCN10ATAAR1
SCHEMBL580331 0.80 TAAR1 (0.46) SCN10ACYP1A2TAAR1RAB9AGAA

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 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 (2 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SCN10A 1465/4885SIRT1 1193/4885CYP1A2 48/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 SCN10A 1505/4885SIRT1 1706/4885CYP1A2 49/4885

“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.