SCHEMBL1939987

SCHEMBL1939987

ClCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
TAAR1 Q96RJ0 2/20 0.52
KCNH2 Q12809 1/20 0.48
MMP12 P39900 5/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
MMP13 P45452 4/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL1939698 0.98 FFAR1 (0.52) FFAR1TAAR1KCNH2MMP12IDO1
SCHEMBL9552844 0.89 MAOB (0.46) FFAR1TAAR1
SCHEMBL9553020 0.89 MAOB (0.46) FFAR1TAAR1
SCHEMBL29448264 0.86 FFAR1 (0.50) FFAR1TAAR1KCNH2MMP12IDO1
SCHEMBL11126863 0.84
SCHEMBL124719 0.84
SCHEMBL6610440 0.82 HDAC2 (0.53) FFAR1TAAR1MGLLHDAC2FDFT1
Ammonia Solution, Strong SCHEMBL9421727 0.81 ALDH1A1 (0.52) TAAR1IDO1LMNATSHRPTGS1
SCHEMBL5551465 0.81 FFAR1 (0.60) FFAR1TAAR1KCNH2MMP12IDO1
Bromide SCHEMBL1934791 0.81 ALDH1A1 (0.52) TAAR1IDO1LMNATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218377-A A kind of Hydroxytyrosol NO donor derivative and its preparation method and application UNIV XI AN JIAOTONG 2016-01-06 CN claimed
CN-109232175-A A kind of preparation method of chloroethyl substituted aromatic compound 四川理工学院 2019-01-18 CN disclosed
CN-105218377-A A kind of Hydroxytyrosol NO donor derivative and its preparation method and application UNIV XI AN JIAOTONG 2016-01-06 CN disclosed
EP-2074086-B1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2011-06-15 EP disclosed
EP-2074086-B1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2011-06-15 EP disclosed
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 US disclosed
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 US disclosed
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 US disclosed
CN-101528684-A Biphenyl sulfonyl and phenyl-heteroaryl sulfonyl modulators of the histamine h3-receptor useful for the treatment of disorders related thereto ARENA PHARM INC (US) 2009-09-09 CN disclosed
EP-2074086-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
WO-2008048609-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-24 WO disclosed
WO-2008048609-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-24 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-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 FFAR1 99/4885TAAR1 389/4885KCNH2 1344/4885

“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.