SCHEMBL1049984

SCHEMBL1049984

Cc1cc(Cl)ccc1Cn1nc(C(=O)O)c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MCL1 Q07820 2/20 0.50
PTGER4 P35408 2/20 0.43
PPARG P37231 11/20 0.43
PPARA Q07869 8/20 0.43
EGFR P00533 1/20 0.43
CHRM4 P08173 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ALOX5 P09917 1/20 0.43
ADRB3 P13945 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43

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
SCHEMBL1050228 0.91 MCL1 (0.43) CYP2C9CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL1046114 0.90 CYP2C9 (0.65) CYP2C9CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL1046203 0.89 MEN1 (0.44) CYP2C9CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL1050234 0.89 CYP2C9 (0.53) CYP2C9CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL5318197 0.87 PTGDR2 (0.49) CYP2C9PTGER4PPARGPPARAEGFR
SCHEMBL1050467 0.86 CYP2C9 (0.52) CYP2C9CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL5316539 0.85 KMO (0.44) CYP2C9CYP3A4MCL1PTGER4PPARG
SCHEMBL4097771 0.85 CYP1A2 (0.54) CYP2C9CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL1050561 0.84 ENPP2 (0.42) CYP2C9CYP1A2CYP2D6MCL1PTGER4
SCHEMBL1050565 0.84 ENPP2 (0.42) CYP2C9CYP1A2CYP2D6MCL1PTGER4

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 23 patents — showing the first 20. 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-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-8362031-B2 Lonidamine analogues and treatment of polycystic kidney disease UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-8362031-B2 Lonidamine analogues and treatment of polycystic kidney disease UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
EP-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP disclosed
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP 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
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
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
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 US disclosed
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 US disclosed
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 US disclosed
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP disclosed
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 disclosed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO 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 (3 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 CYP2C9 3890/4885CYP1A2 3302/4885CYP2D6 3946/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP2C9 784/4885CYP1A2 348/4885CYP2D6 580/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 CYP2C9 3125/4885CYP1A2 4345/4885CYP2D6 3639/4885

“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.