SCHEMBL8511316

SCHEMBL8511316

BrCCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
TBXAS1 P24557 16/20 0.49
TBXA2R P21731 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
SCHEMBL8216126 0.96 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL4535241 0.87 SIGMAR1 (0.47) SIGMAR1TBXAS1TBXA2R
SCHEMBL9092744 0.82 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL7810685 0.80 TBXAS1 (0.46) SIGMAR1TBXAS1
SCHEMBL6897257 0.79 SIGMAR1 (0.54) SIGMAR1TBXAS1TBXA2R
SCHEMBL9943787 0.79 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL14127624 0.79 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL7535000 0.78 MTNR1A (0.47) SIGMAR1TBXAS1
SCHEMBL5092012 0.78 SIGMAR1 (0.51) SIGMAR1TBXAS1TBXA2R
SCHEMBL9882949 0.78 SIGMAR1 (0.51) SIGMAR1TBXAS1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145352-B2 Quaternary N-(halomethyl) ammonium salts as therapeutic agents UNIVERSIDAD DE CALDAS (CO) 2015-09-29 US disclosed
US-20140194640-A1 QUATERNARY N-(HALOMETHYL) AMMONIUM SALTS AS THERAPEUTIC AGENTS UNIVERSIDAD DE ANTIOQUIA (CO) 2014-07-10 US disclosed
WO-2013179244-A2 QUATERNARY N-(HALOMETHYL) AMMONIUM SALTS AS THERAPEUTIC AGENTS UNIVERSIDAD DE CALDAS (CO) 2013-12-05 WO disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
EP-2642987-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS Faes Farma, S.A. (ES) 2013-10-02 EP disclosed
CN-103313707-A Application, synthesis method and pharmaceutical composition of diphenyl-amine derivative FAES FARMA SA 2013-09-18 CN disclosed
EP-2465498-A1 Diphenyl-amine derivatives: uses, process of synthesis and pharmaceutical compositions FAES FARMA, S.A. (ES) 2012-06-20 EP disclosed
EP-2465498-A1 Diphenyl-amine derivatives: uses, process of synthesis and pharmaceutical compositions FAES FARMA, S.A. (ES) 2012-06-20 EP disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 WO disclosed
US-4514414-A NEUROLEPTIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1985-04-30 US disclosed
EP-0066456-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND THEIR ESTERS SMITHKLINE BECKMAN CORPORATION (US) 1985-04-24 EP disclosed
US-4383999-A GAMMA-AMINOBUTYRIC ACID SEDATIVES, ANALGESTICS, ANTIEPILEPTIC, MUSCULAR AND PSYCHOLOGICAL DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1983-05-17 US disclosed
EP-0066456-A1 N-substituted azaheterocyclic carboxylic acids and their esters SMITHKLINE BECKMAN CORPORATION (US) 1982-12-08 EP 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-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CYP2D6, DDC, PAH SIGMAR1 1329/4885TBXAS1 517/4885TBXA2R 478/4885

“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.