SCHEMBL4092670

SCHEMBL4092670

COC(=O)/C=C/c1nn(Cc2ccc(Cl)cc2F)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
PTGER4 P35408 1/20 0.39
AKR1B1 P15121 1/20 0.39
VNN1 O95497 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
ESRRA P11474 1/20 0.38
KLKB1 P03952 1/20 0.37
PPARG P37231 3/20 0.36
ENPP2 Q13822 2/20 0.36
CCR2 P41597 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
SCHEMBL997395 1.00 NR1H2 (0.40) NR1H2NR1H3PTGER4AKR1B1VNN1
SCHEMBL1049898 0.92 NPSR1 (0.44) AKR1B1PTGDR2PPARG
SCHEMBL1049897 0.92 NPSR1 (0.44) AKR1B1PTGDR2PPARG
SCHEMBL5317317 0.92 ENPP2 (0.40) NR1H2NR1H3AKR1B1PTGDR2ESRRA
SCHEMBL5317319 0.92 ENPP2 (0.40) NR1H2NR1H3AKR1B1PTGDR2ESRRA
SCHEMBL1049285 0.91 KCNK3 (0.41) PTGER4VNN1PTGDR2
SCHEMBL1049284 0.91 KCNK3 (0.41) PTGER4VNN1PTGDR2
SCHEMBL996501 0.89 AKR1B1 (0.43) NR1H2NR1H3PTGER4AKR1B1VNN1
SCHEMBL4102096 0.89 AKR1B1 (0.43) NR1H2NR1H3PTGER4AKR1B1VNN1
SCHEMBL1046874 0.88 AKR1B1 (0.41) NR1H2NR1H3PTGER4AKR1B1VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 NR1H2 2448/4885NR1H3 2769/4885PTGER4 2999/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885PTGER4 2483/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 NR1H2 2464/4885NR1H3 2927/4885PTGER4 2890/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885PTGER4 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.