SCHEMBL894221

SCHEMBL894221

O=C(NCc1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccccc3F)CC2)n1)C1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ATM Q13315 1/20 0.55
TRPA1 O75762 6/20 0.53
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 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
SCHEMBL10201945 1.00 POLB (0.57) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL893342 0.96 ATM (0.59) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL894212 0.94 ATM (0.53) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL10202185 0.94 ATM (0.53) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL10203333 0.94 ATM (0.56) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL894811 0.94 ATM (0.58) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL894091 0.94 ATM (0.54) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL893359 0.93 POLB (0.54) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL894518 0.93 ATM (0.53) POLBATMTRPA1LMNAL3MBTL1
SCHEMBL893675 0.92 ATM (0.57) POLBATMTRPA1LMNAL3MBTL1

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 POLB 4754/4885ATM 2689/4885TRPA1 1/4885

“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.