SCHEMBL416245

SCHEMBL416245

O=C(CCCSc1ccc(F)cc1)Nc1cccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.53
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL419752 0.86 HTT (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL416444 0.80 HTT (0.63) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4861777 0.79 TRPV1 (0.66) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL414640 0.78 ROCK1 (0.39) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL418560 0.73 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6030507 0.73 TRPV1 (0.62) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31536337 0.73 TRPV1 (0.65) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6030168 0.73 TRPV1 (0.65) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17776532 0.73 TRPV1 (0.62) TRPV1ALDH1A1MAPTKMT2AHTT
SCHEMBL6030505 0.73 TRPV1 (0.62) TRPV1ALDH1A1MAPTMEN1KMT2A

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 TRPV1 4637/4885ALDH1A1 455/4885MAPT 3216/4885

“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.