SCHEMBL10164510

SCHEMBL10164510

Cc1ccc(-c2cc(CNC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(N3CCN(c4ccccc4F)CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.49
TRPA1 O75762 3/20 0.48
FKBP1A P62942 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.46
GLA P06280 1/20 0.46
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL894547 0.92 ATM (0.53) L3MBTL1ATMLMNATSHRTRPA1
SCHEMBL10201456 0.92 ATM (0.53) L3MBTL1ATMLMNATSHRTRPA1
SCHEMBL10164494 0.91 L3MBTL1 (0.55) L3MBTL1ATMMAPTRAB9ATSHR
SCHEMBL10164495 0.90 L3MBTL1 (0.54) L3MBTL1ATMMAPTRAB9ATSHR
SCHEMBL10164594 0.89 L3MBTL1 (0.53) L3MBTL1ATMMAPTRAB9ATSHR
SCHEMBL10164562 0.89 TRPA1 (0.47) L3MBTL1ATMLMNAMEN1KMT2A
SCHEMBL10164507 0.88 L3MBTL1 (0.47) L3MBTL1ATMLMNAMEN1KMT2A
SCHEMBL10164512 0.87 LMNA (0.44) L3MBTL1ATMLMNAMEN1KMT2A
SCHEMBL10164587 0.87 L3MBTL1 (0.49) L3MBTL1ATMMAPTRAB9ATSHR
SCHEMBL10164517 0.85 TSHR (0.61) L3MBTL1ATMLMNAMAPTRAB9A

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 L3MBTL1 3677/4885ATM 2689/4885LMNA 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.