SCHEMBL996714

SCHEMBL996714

CCOC(=O)CCc1nn(Cc2ccc(F)cc2Cl)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
P2RX7 Q99572 6/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
AR P10275 1/20 0.39
RXRA P19793 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL1047509 0.93 P2RX7 (0.40) PPARGP2RX7NR1H2NR1H3NR1I2
SCHEMBL1049461 0.92 NPSR1 (0.41) PPARGSLC22A12LMNASMN1; SMN2
SCHEMBL1050233 0.91 ALDH1A1 (0.41) SLC22A12LMNAPTGDR2
SCHEMBL1050175 0.89 MAPT (0.45) P2RX7SLC22A12LMNAMAPTSMN1; SMN2
SCHEMBL998078 0.88 NR1H2 (0.40) NR1H2NR1H3SLC22A12LMNAPTGDR2
SCHEMBL1048464 0.87 SLC22A12 (0.44) PPARGP2RX7NR1H2NR1H3NR1I2
SCHEMBL1050004 0.85 AKR1B1 (0.44) PPARGLMNASMN1; SMN2PTGDR2
SCHEMBL5320470 0.84 TBXAS1 (0.43) PPARGP2RX7NR1H2NR1H3NR1I2
SCHEMBL1049602 0.84 ALDH1A1 (0.41) LMNAPTGDR2
SCHEMBL5319045 0.83 NR1H2 (0.43) PPARGP2RX7NR1H2NR1H3NR1I2

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 PPARG 4198/4885P2RX7 4583/4885NR1H2 2448/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PPARG 3222/4885P2RX7 3400/4885NR1H2 746/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 PPARG 1569/4885P2RX7 1562/4885NR1H2 2464/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PPARG 3222/4885P2RX7 3400/4885NR1H2 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.