SCHEMBL1049798

SCHEMBL1049798

COc1ccc2c(C(=O)NN)nn(Cc3ccc(F)cc3F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TRPA1 O75762 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PPARG P37231 2/20 0.44
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
KCNK3 O14649 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
PTGER4 P35408 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KCNK5 O95279 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNK17 Q96T54 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
NPC1 O15118 1/20 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
SCHEMBL1050645 0.90 KDM4E (0.44) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL4097705 0.90 TP53 (0.48) POLBMAPTSMN1; SMN2
SCHEMBL1046780 0.90 PPARG (0.44) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL1045315 0.89 PTGDR2 (0.43) MEN1KMT2APPARGKCNK3PTGDR2
SCHEMBL1048090 0.89 MEN1 (0.52) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL1049440 0.88 PTGER4 (0.43) KDM4EKMT2AKCNK3PTGDR2PTGER4
SCHEMBL1050201 0.86 PTGDR2 (0.44) MEN1KMT2AMAPTKCNK3PTGDR2
SCHEMBL5318767 0.85 PPARG (0.41) KDM4EMAPTPPARGKCNK3PTGDR2
SCHEMBL1049751 0.84 CYP1A2 (0.46) PTGDR2PTGER4
SCHEMBL1047214 0.84 PTGDR2 (0.40) KDM4EKCNK3PTGDR2PTGER4ALDH1A1

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 KDM4E 1905/4885MEN1 1637/4885KMT2A 3243/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR KDM4E 2309/4885MEN1 1440/4885KMT2A 1947/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 KDM4E 3466/4885MEN1 3432/4885KMT2A 1745/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR KDM4E 2309/4885MEN1 1440/4885KMT2A 1947/4885

“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.