SCHEMBL10164512

SCHEMBL10164512

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(F)cc3)cc(N3CCN(c4ccccc4F)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPA1 O75762 11/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
THRB P10828 2/20 0.39

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
SCHEMBL894015 0.92 TRPA1 (0.46) LMNATRPA1
SCHEMBL10164566 0.90 TRPA1 (0.41) LMNATRPA1TP53MAPT
SCHEMBL10164564 0.88 THRB (0.38) LMNAMEN1KMT2ATRPA1L3MBTL1
SCHEMBL10164627 0.88 TRPA1 (0.42) TRPA1TP53MAPT
SCHEMBL10164510 0.87 L3MBTL1 (0.57) LMNAMEN1KMT2ATRPA1L3MBTL1
SCHEMBL10164519 0.86 TRPA1 (0.41) MEN1KMT2ATRPA1TP53POLB
SCHEMBL10164574 0.85 TSHR (0.47) TRPA1TP53
SCHEMBL10164562 0.85 TRPA1 (0.47) LMNAMEN1KMT2ATRPA1L3MBTL1
SCHEMBL10164592 0.82 TRPA1 (0.47) TRPA1TP53
SCHEMBL10164502 0.82 TRPA1 (0.44) TRPA1TP53MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 LMNA 4619/4885MEN1 4531/4885KMT2A 3371/4885

“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.