SCHEMBL1045159

SCHEMBL1045159

O=C(O)C=Cc1nn(Cc2ccc(Cl)cc2F)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.46
SLC22A12 Q96S37 3/20 0.42
PTGER4 P35408 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39
AKR1B1 P15121 1/20 0.39
VNN1 O95497 1/20 0.39
PTGER1 P34995 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
CXCR3 P49682 1/20 0.36

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
SCHEMBL1045158 1.00 ENPP2 (0.46) ENPP2SLC22A12PTGER4NR1H2NR1H3
SCHEMBL4102096 0.92 AKR1B1 (0.43) ENPP2SLC22A12PTGER4NR1H2NR1H3
SCHEMBL996501 0.92 AKR1B1 (0.43) ENPP2SLC22A12PTGER4NR1H2NR1H3
Gamendazole SCHEMBL1050491 0.91 NPSR1 (0.47) ENPP2SLC22A12AKR1B1CYP1A2CYP3A4
Gamendazole SCHEMBL1050488 0.91 NPSR1 (0.47) ENPP2SLC22A12AKR1B1CYP1A2CYP3A4
Gamendazole SCHEMBL29711443 0.91 NPSR1 (0.47) ENPP2SLC22A12AKR1B1CYP1A2CYP3A4
Gamendazole SCHEMBL5319212 0.91 NPSR1 (0.47) ENPP2SLC22A12AKR1B1CYP1A2CYP3A4
SCHEMBL1050572 0.91 ENPP2 (0.54) ENPP2SLC22A12NR1H2NR1H3GUCY1A1
SCHEMBL1050570 0.91 ENPP2 (0.54) ENPP2SLC22A12NR1H2NR1H3GUCY1A1
SCHEMBL1048115 0.90 ENPP2 (0.41) ENPP2SLC22A12PTGER4AKR1B1PTGER1

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 11 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
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 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
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO 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 1618/4885SLC22A12 3712/4885PTGER4 2999/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC22A12 1351/4885PTGER4 2483/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ENPP2 3917/4885SLC22A12 1256/4885PTGER4 2890/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC22A12 1351/4885PTGER4 2483/4885

“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.