SCHEMBL4098769

SCHEMBL4098769

O=C(O)/C=C/c1nn(Cc2ccc(Cl)cc2F)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.44
RORC P51449 1/20 0.41
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
PPARG P37231 5/20 0.37
PPARA Q07869 3/20 0.37
CYP2C9 P11712 2/20 0.37
EGFR P00533 1/20 0.37
CHRM4 P08173 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ALOX5 P09917 1/20 0.37
ADRB3 P13945 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
TACR2 P21452 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL1050357 1.00 ENPP2 (0.44) ENPP2RORCGUCY1A1GUCY1B1PPARG
SCHEMBL4093247 0.92 CYP2C9 (0.45) ENPP2PPARGPPARACYP2C9EGFR
SCHEMBL1050505 0.92 CYP2C9 (0.45) ENPP2PPARGPPARACYP2C9EGFR
SCHEMBL4098543 0.91 KCNK3 (0.42) ENPP2RORCCYP2C9PTGDRALOX5AP
SCHEMBL1083530 0.91 KCNK3 (0.42) ENPP2RORCCYP2C9PTGDRALOX5AP
SCHEMBL4112646 0.90 ENPP2 (0.41) ENPP2RORCPPARGPPARACYP2C9
SCHEMBL1051825 0.90 ENPP2 (0.41) ENPP2RORCPPARGPPARACYP2C9
SCHEMBL1050561 0.90 ENPP2 (0.42) ENPP2PPARGPPARACYP2C9EGFR
SCHEMBL1050565 0.90 ENPP2 (0.42) ENPP2PPARGPPARACYP2C9EGFR
SCHEMBL1051023 0.90 ENPP2 (0.40) ENPP2RORCPPARGPPARACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 US disclosed
US-8377958-B2 Lonidamine analogues for fertility management THE UNIVERSITY OF KANSAS (US) 2013-02-19 US disclosed
US-8362031-B2 Lonidamine analogues and treatment of polycystic kidney disease UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US disclosed
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 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-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885RORC 4790/4885GUCY1A1 843/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ENPP2 3917/4885RORC 4621/4885GUCY1A1 3334/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885RORC 4790/4885GUCY1A1 843/4885

“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.