SCHEMBL3664523

SCHEMBL3664523

Fc1cc(F)c(/C(=C/c2ccccc2Cl)CCl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3769358 1.00 TRPA1 (0.39) TRPA1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3762718 0.85 MDM2 (0.40) TRPA1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3662246 0.85 MDM2 (0.40) TRPA1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3769989 0.85 ALDH1A1 (0.37) TRPA1ALDH1A1GAAMEN1KMT2A
SCHEMBL3776287 0.85 NFE2L2 (0.38) TRPA1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3662395 0.85 NFE2L2 (0.38) TRPA1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1023309 0.85 ALDH1A1 (0.37) TRPA1ALDH1A1GAAMEN1KMT2A
SCHEMBL3662523 0.84 NPC1 (0.39) TRPA1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3764145 0.84 NPC1 (0.39) TRPA1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3663628 0.84 ALDH1A1 (0.33) TRPA1ALDH1A1MEN1KMT2A

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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 TRPA1 2075/4885NPC1 4668/4885RAB9A 4287/4885

“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.