SCHEMBL894524

SCHEMBL894524

O=C(NCc1cc(-c2ccc(Br)cc2)nc(NCc2cccnc2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
TRPA1 O75762 6/20 0.54
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 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
SCHEMBL893722 0.92 TSHR (0.63) TSHRTRPA1KDM4EATM
SCHEMBL10202101 0.89 TSHR (0.61) TSHRTRPA1MAPK1LMNAKDM4E
SCHEMBL894402 0.87 TRPA1 (0.56) TSHRTRPA1LMNAATM
SCHEMBL894599 0.87 TSHR (0.58) TSHRTRPA1KDM4EATM
SCHEMBL894827 0.85 TRPA1 (0.55) TSHRTRPA1LMNAATML3MBTL1
SCHEMBL894348 0.85 TRPA1 (0.58) TSHRTRPA1LMNAATML3MBTL1
SCHEMBL893502 0.85 TRPA1 (0.54) TSHRTRPA1LMNAATML3MBTL1
SCHEMBL893917 0.85 TRPA1 (0.53) TSHRTRPA1LMNAKMT2AATM
SCHEMBL893480 0.85 TRPA1 (0.57) TSHRTRPA1LMNAATM
SCHEMBL894132 0.84 TRPA1 (0.52) TSHRTRPA1MAPK1KDM4EATM

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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 TSHR 2952/4885TRPA1 1/4885MAPK1 1950/4885

“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.