SCHEMBL1048680

SCHEMBL1048680

COC(=O)C=Cc1nn(Cc2ccc(F)cc2Cl)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
MAPT P10636 2/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
TP53 P04637 2/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 1/20 0.40
AR P10275 1/20 0.40
RXRA P19793 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
P2RX7 Q99572 4/20 0.38

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
SCHEMBL1048679 1.00 PPARG (0.41) PPARGMAPTNR1H2NR1H3TP53
SCHEMBL1049897 0.92 NPSR1 (0.44) PPARGTP53PTGDR2
SCHEMBL1049898 0.92 NPSR1 (0.44) PPARGTP53PTGDR2
SCHEMBL1049285 0.91 KCNK3 (0.41) ARPTGDR2
SCHEMBL1049284 0.91 KCNK3 (0.41) ARPTGDR2
SCHEMBL1051476 0.89 CYP1A2 (0.44) MAPTNR1H2NR1H3TP53P2RX7
SCHEMBL1049709 0.89 NR1H2 (0.40) PPARGNR1H2NR1H3TP53NR1I2
SCHEMBL1049710 0.89 NR1H2 (0.40) PPARGNR1H2NR1H3TP53NR1I2
SCHEMBL1051479 0.89 CYP1A2 (0.44) MAPTNR1H2NR1H3TP53P2RX7
SCHEMBL4092670 0.88 NR1H2 (0.40) PPARGNR1H2NR1H3PTGDR2

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 10 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
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 PPARG 4198/4885MAPT 3368/4885NR1H2 2448/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PPARG 3222/4885MAPT 4627/4885NR1H2 746/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 PPARG 1569/4885MAPT 4829/4885NR1H2 2464/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PPARG 3222/4885MAPT 4627/4885NR1H2 746/4885

“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.