SCHEMBL1050201

SCHEMBL1050201

Cc1ccc2c(C(=O)NN)nn(Cc3ccc(F)cc3F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGDR Q13258 1/20 0.41
CNR1 P21554 1/20 0.40
PTGER1 P34995 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
PTGER4 P35408 2/20 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
SCHEMBL1045315 0.92 PTGDR2 (0.43) PTGDR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12787987 0.91 PTGDR2 (0.46) PTGDR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1048830 0.89 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1048094 0.89 CYP1A2 (0.44) PTGDR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5318767 0.88 PPARG (0.41) PTGDR2MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1047949 0.88 MEN1 (0.47) PTGDR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1049751 0.87 CYP1A2 (0.46) PTGDR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1049540 0.87 PTGDR2 (0.42) PTGDR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1047214 0.86 PTGDR2 (0.40) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL1049798 0.86 KDM4E (0.46) PTGDR2MAPTSMN1; SMN2MEN1KMT2A

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 14 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-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
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
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 PTGDR2 3663/4885MAPT 3368/4885SMN1; SMN2 2170/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PTGDR2 828/4885MAPT 4627/4885SMN1; SMN2 3533/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 PTGDR2 1364/4885MAPT 4829/4885SMN1; SMN2 4739/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PTGDR2 828/4885MAPT 4627/4885SMN1; SMN2 3533/4885

“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.