SCHEMBL895104

SCHEMBL895104

Clc1ccc(OCCBr)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 13/20 0.58
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 4/20 0.49
TSHR P16473 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2205085 0.90 MAPT (0.59) S1PR4TDP1MAPTHPGDTSHR
SCHEMBL1283086 0.89 MAPT (0.58) S1PR4TDP1MAPTHPGDTSHR
SCHEMBL11413525 0.87 S1PR4 (0.66) S1PR4TDP1MAPT
SCHEMBL11840387 0.83 TDP1 (0.56) S1PR4TDP1MAPTHPGDTSHR
SCHEMBL29559882 0.82 SMN1; SMN2 (0.56) S1PR4TDP1MAPTHPGDNPC1
SCHEMBL2000918 0.82 KDM4E (0.54) S1PR4TDP1MAPTHPGDTSHR
SCHEMBL22866816 0.82 SMN1; SMN2 (0.56) S1PR4TDP1MAPTHPGDNPC1
SCHEMBL7237501 0.82 MAPT (0.58) S1PR4TDP1MAPTHPGDTSHR
SCHEMBL5825119 0.82 S1PR4 (0.56) S1PR4TDP1MAPTHPGDTSHR
SCHEMBL14861119 0.81 CYP1A2 (0.44) S1PR4MAPTCYP1A2CYP3A4MAPK1

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4554356-A Method for production of imidazolyl vinyl ethers SIEGFRIED AKTIENGESELLSCHAFT (CH) 1985-11-19 US claimed
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-12-18 US disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-8536195-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 US disclosed
EP-0069754-B1 METHOD FOR THE PREPARATION OF IMIDAZOLYL-VINYL-ETHERS SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-10-10 EP disclosed
EP-0119572-A2 Substituted phenethyl-triazolyl derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1984-09-26 EP disclosed
EP-0069754-A1 METHOD FOR THE PREPARATION OF IMIDAZOLYL-VINYL-ETHERS. SIEGFRIED AG (CH) 1983-01-19 EP disclosed
EP-0066987-A2 N-(aryloxyalkyl)-N'-(amino-alkyl) ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-15 EP disclosed
WO-1982002552-A1 METHOD FOR THE PREPARATION OF IMIDAZOLYL-VINYL-ETHERS ZIRNGIBL LUDWIG 1982-08-05 WO disclosed
EP-0049060-A1 Imidazoles BEECHAM GROUP PLC (GB) 1982-04-07 EP disclosed
US-4182776-A Method of treating lipidemia with aryloxyalkylaminobenzoic acids and esters AMERICAN CYANAMID COMPANY (US) 1980-01-08 US disclosed
US-4085281-A ANTIMICROBIALS, HERBICIDES THE DOW CHEMICAL COMPANY (US) 1978-04-18 US disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 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 (3 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 S1PR4 2327/4885TDP1 1161/4885MAPT 4496/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 S1PR4 2327/4885TDP1 1161/4885MAPT 4496/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 S1PR4 2327/4885TDP1 1161/4885MAPT 4496/4885

“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.