SCHEMBL417338

SCHEMBL417338

C/C=C/c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 5/20 0.36
PIK3CA P42336 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7130266 1.00 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6241137 1.00 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL24589393 0.84 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL14468404 0.84 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6662231 0.84 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6662242 0.84 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL65321 0.84 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3765477 0.84 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL38340 0.84 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11287552 0.81 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435418-B1 A dispersant/antioxidant viscosity index improving lubricant additive TEXACO DEVELOPMENT CORP (US) 1995-01-04 EP claimed
EP-0435418-A1 A dispersant/antioxidant viscosity index improving lubricant additive TEXACO DEVELOPMENT CORPORATION (US) 1991-07-03 EP claimed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20120064062-A1 INHIBITORS OF BACTERIAL PLASMINOGEN ACTIVATORS MICROBIOTIX, INC. 2012-03-15 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-1601653-B1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2009-02-04 EP disclosed
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
EP-0435418-B1 A dispersant/antioxidant viscosity index improving lubricant additive TEXACO DEVELOPMENT CORP (US) 1995-01-04 EP disclosed
EP-0435418-A1 A dispersant/antioxidant viscosity index improving lubricant additive TEXACO DEVELOPMENT CORPORATION (US) 1991-07-03 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 (2 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-20120064062-A1 INHIBITORS OF BACTERIAL PLASMINOGEN ACTIVATORS PLG, PLAU, TFPI CYP3A4 3296/4885ALOX15 360/4885CASP1 227/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CYP3A4 1411/4885ALOX15 1745/4885CASP1 1928/4885

“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.