SCHEMBL1050893

SCHEMBL1050893

COC(=O)c1nn(Cc2ccc(C)cc2Cl)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GCGR P47871 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
PPARG P37231 6/20 0.40
CCR2 P41597 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
TP53 P04637 1/20 0.37
PTGER4 P35408 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
SCHEMBL998442 0.91 NPSR1 (0.53) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12520326 0.90 MAPT (0.45) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1051088 0.89 PTGDR2 (0.41) SLC22A12GCGRPTGDR2MAPTF2
SCHEMBL30949028 0.89 CYP1A2 (0.54) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1049264 0.89 CYP1A2 (0.54) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1049779 0.87 ELANE (0.42) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1050457 0.86 CCR2 (0.43) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1046213 0.85 MAPT (0.51) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1044775 0.85 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1048070 0.84 NR1H2 (0.43) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9

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 12 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
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 CN disclosed
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 SLC22A12 3712/4885CYP1A2 3302/4885CYP3A4 4010/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR SLC22A12 1351/4885CYP1A2 348/4885CYP3A4 1218/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 SLC22A12 1256/4885CYP1A2 4345/4885CYP3A4 3630/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR SLC22A12 1351/4885CYP1A2 348/4885CYP3A4 1218/4885

“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.