SCHEMBL1049936

SCHEMBL1049936

O=C(O)C=Cc1nn(Cc2ccc(F)cc2Cl)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
MCTS1 Q9ULC4 2/20 0.40
TP53 P04637 5/20 0.39
MAPT P10636 3/20 0.38
ESR1 P03372 1/20 0.38
RORC P51449 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PPARG P37231 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
CYP1A2 P05177 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
SCHEMBL4101180 1.00 ENPP2 (0.42) ENPP2SLC16A3SLC16A1MCTS1TP53
SCHEMBL4093247 0.92 CYP2C9 (0.45) ENPP2SLC16A3SLC16A1MCTS1SLC22A12
SCHEMBL1050505 0.92 CYP2C9 (0.45) ENPP2SLC16A3SLC16A1MCTS1SLC22A12
SCHEMBL4098543 0.91 KCNK3 (0.42) ENPP2ESR1RORCF2RL3CYP1A2
SCHEMBL1083530 0.91 KCNK3 (0.42) ENPP2ESR1RORCF2RL3CYP1A2
SCHEMBL1047919 0.90 MAPT (0.42) ENPP2SLC16A3SLC16A1MCTS1TP53
SCHEMBL4099156 0.90 MAPT (0.42) ENPP2SLC16A3SLC16A1MCTS1TP53
SCHEMBL1049962 0.90 SLC16A3 (0.41) ENPP2SLC16A3SLC16A1MCTS1SLC22A12
SCHEMBL1049961 0.90 SLC16A3 (0.41) ENPP2SLC16A3SLC16A1MCTS1SLC22A12
SCHEMBL1050776 0.90 ENPP2 (0.39) ENPP2SLC16A3SLC16A1MCTS1TP53

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 1618/4885SLC16A3 3585/4885SLC16A1 2739/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC16A3 1564/4885SLC16A1 859/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ENPP2 3917/4885SLC16A3 581/4885SLC16A1 307/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC16A3 1564/4885SLC16A1 859/4885

“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.