SCHEMBL96139

SCHEMBL96139

[O]CC#Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
APP P05067 1/20 0.55
HTR2A P28223 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
FFAR1 O14842 1/20 0.43
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7377150 0.83 APP (0.48) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28973803 0.81 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL97269 0.80 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL10768214 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28469893 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28117897 0.75 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5079648 0.75 LMNA (0.46) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL6500067 0.75 FFAR1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL1444744 0.75 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL2697029 0.74 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157003-A1 ACYLATED AMINOACETONITRILES AS CYSTEINE PROTEASE INHIBITORS AstraZeneca AB (SE) 2001-11-28 EP claimed
WO-2000048992-A1 ACYLATED AMINOACETONITRILES AS CYSTEINE PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2000-08-24 WO claimed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US claimed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US claimed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP claimed
EP-2177519-B1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO (JP) 2015-05-27 EP disclosed
US-9029552-B2 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2015-05-12 US disclosed
US-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2014-01-02 US disclosed
EP-2669282-A1 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2013-12-04 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-5763614-A VASODILATION BASED ON CALCIUM ANTAGONISM AND PAF ANTAGONISM FUJIREBIO INC. (JP) 1998-06-09 US disclosed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US disclosed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
US-5367081-A Vasodilator, antiallergen FUJIREBIO INC. (JP) 1994-11-22 US disclosed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP disclosed
US-4604386-A CONTROL OF GRAMPOSITIVE BACTERIA ELI LILLY AND COMPANY (US) 1986-08-05 US disclosed
EP-0168222-A2 3-(Alkynylalkyloxy) Cephalosporins ELI LILLY AND COMPANY (US) 1986-01-15 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-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT PAOX, BROX, TTI2 CYP1A2 2855/4885CYP3A4 3538/4885CYP2C9 3225/4885

“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.