SCHEMBL893317

SCHEMBL893317

O=C(NCc1cc(-c2ccccc2Cl)nc(N2CCN(c3ccccc3F)CC2)n1)C1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.52
LMNA P02545 4/20 0.51
TRPA1 O75762 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10203334 1.00 ATM (0.55) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL894721 0.94 ATM (0.59) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL894113 0.94 POLB (0.54) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL10202188 0.91 ATM (0.55) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL894288 0.91 ATM (0.57) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL893342 0.91 ATM (0.59) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL894212 0.91 ATM (0.53) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL10202185 0.91 ATM (0.53) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL894518 0.91 ATM (0.53) ATMPOLBLMNATRPA1L3MBTL1
SCHEMBL894221 0.91 POLB (0.57) ATMPOLBLMNATRPA1L3MBTL1

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 2 patents. 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 claimed
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 ATM 2689/4885POLB 4754/4885LMNA 4619/4885

“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.