SCHEMBL1050671

SCHEMBL1050671

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.51
PTGER1 P34995 3/20 0.42
GUCY1A1 Q02108 3/20 0.40
GUCY1B1 Q02153 3/20 0.40
LMNA P02545 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGDR Q13258 1/20 0.36
KCNK3 O14649 1/20 0.36
PDE5A O76074 1/20 0.36
MDM2 Q00987 1/20 0.36
KMO O15229 1/20 0.35

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
SCHEMBL1050672 1.00 ENPP2 (0.51) ENPP2PTGER1GUCY1A1GUCY1B1LMNA
SCHEMBL5319156 0.95 ENPP2 (0.48) ENPP2PTGER1GUCY1A1GUCY1B1LMNA
SCHEMBL5319158 0.95 ENPP2 (0.48) ENPP2PTGER1GUCY1A1GUCY1B1LMNA
SCHEMBL1046850 0.92 ENPP2 (0.51) ENPP2PTGER1LMNACYP1A2CYP3A4
SCHEMBL1051480 0.92 PTGER1 (0.42) ENPP2PTGER1GUCY1A1GUCY1B1LMNA
SCHEMBL1046851 0.92 ENPP2 (0.51) ENPP2PTGER1LMNACYP1A2CYP3A4
SCHEMBL1051482 0.92 PTGER1 (0.42) ENPP2PTGER1GUCY1A1GUCY1B1LMNA
SCHEMBL1048907 0.90 ENPP2 (0.44) ENPP2PTGER1LMNAPTGDR2CYP1A2
SCHEMBL1048908 0.90 ENPP2 (0.44) ENPP2PTGER1LMNAPTGDR2CYP1A2
SCHEMBL1050359 0.89 PTGDR2 (0.39) ENPP2PTGER1PTGDR2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP claimed
US-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-02 US claimed
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
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO 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 (4 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-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment TRAP1, HSPE1, HSF1 ENPP2 1618/4885PTGER1 2233/4885GUCY1A1 778/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885PTGER1 1924/4885GUCY1A1 843/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ENPP2 3917/4885PTGER1 1724/4885GUCY1A1 3334/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885PTGER1 1924/4885GUCY1A1 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.