SCHEMBL10073625

SCHEMBL10073625

N=Nc1ccc(CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ CYP3A4 P08684 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31

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
SCHEMBL15821556 0.80 ALDH1A1 (0.48) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL131361 0.78 ALDH1A1 (0.67) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL8505290 0.76 ALDH1A1 (0.43) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL12182788 0.76 TSHR (0.43) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL8587970 0.76 PLAU (0.52) TSHRTRPA1ALDH1A1
SCHEMBL24423474 0.76 NOS3 (0.52) —
SCHEMBL10035756 0.76 NOS3 (0.50) TSHRADRA2AADRA2BADRA2C
Bromide SCHEMBL29980639 0.75 ALDH1A1 (0.62) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL8588836 0.72 LPL (0.45) CYP3A4P2RY6
SCHEMBL12108414 0.72 CA2 (0.52) TSHRALDH1A1CYP3A4P2RY6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851523-B Dimeric surfactant containing azobenzene group and application thereof 江南大学 2020-11-06 — — CN claimed
CN-109851523-B Dimeric surfactant containing azobenzene group and application thereof 江南大学 2020-11-06 — — CN disclosed
CN-108837770-A The four poly- surfactant worm-like micelle systems containing azobenzene group 江南大学 2018-11-20 — — CN disclosed
US-8361908-B2 Modified surface material, method for preparing same and uses thereof UNIVERSITE PARIS 7-DENIS DIDEROT (FR) 2013-01-29 — — US disclosed
US-20120015138-A1 MODIFIED SURFACE MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF ALCHIMEDICS (FR) 2012-01-19 — — US disclosed
US-8053567-B2 forming undercoatings on semiconductor by polymerizing monomers with diazonium salt which can electrochemical reduction having a polymerization initiator function; in situ free radical polymerization; stents, implants, prostheses; corrosion resistance Universite Paris 7—Denis Diderot (FR) 2011-11-08 — — US disclosed
EP-1778770-B1 MODIFIED SURFACE MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF UNIV PARIS 7 DENIS DIDEROT (FR) 2011-11-02 — — EP disclosed
US-20080064783-A1 Modified Surface Material, Method for Preparing Same and Uses Thereof ALCHIMEDICS (FR) 2008-03-13 — — 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-20080064783-A1 Modified Surface Material, Method for Preparing Same and Uses Thereof SOAT2, SOAT1, INMT TSHR 4866/4885TRPA1 2241/4885ALDH1A1 461/4885

“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.

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