SCHEMBL1050602

SCHEMBL1050602

NNC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(CO)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
PTGER4 P35408 2/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.39
ALDH1A1 P00352 1/20 0.38
PPARG P37231 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CFD P00746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGDR Q13258 1/20 0.36
AKR1B1 P15121 1/20 0.36
TP53 P04637 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL1051094 0.92 PTGDR2 (0.41) CNR1PTGER4PTGDR2ALDH1A1PPARG
SCHEMBL1045315 0.91 PTGDR2 (0.43) CNR1PTGER4PTGDR2ALDH1A1PPARG
SCHEMBL1083376 0.90 TP53 (0.47) CNR1PTGER4ALDH1A1MEN1KMT2A
SCHEMBL1049528 0.90 CYP1A2 (0.43) CNR1PTGER4PTGDR2CFDCYP1A2
SCHEMBL1047709 0.88 CYP1A2 (0.45) PTGER4PTGDR2MEN1KMT2ACYP1A2
SCHEMBL5318767 0.87 PPARG (0.41) CNR1PTGER4PTGDR2PPARGCYP1A2
SCHEMBL1048230 0.86 PTGDR2 (0.39) CNR1PTGER4PTGDR2PPARGMEN1
SCHEMBL1049751 0.86 CYP1A2 (0.46) CNR1PTGER4PTGDR2CYP1A2CYP3A4
SCHEMBL1050201 0.86 PTGDR2 (0.44) CNR1PTGER4PTGDR2ALDH1A1MEN1
SCHEMBL28664651 0.84 PTGER4 (0.51) CNR1PTGER4PTGDR2PPARGMEN1

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 CNR1 3227/4885PTGER4 2999/4885PTGDR2 3663/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CNR1 2010/4885PTGER4 2483/4885PTGDR2 828/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 CNR1 1292/4885PTGER4 2890/4885PTGDR2 1364/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CNR1 2010/4885PTGER4 2483/4885PTGDR2 828/4885

“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.