SCHEMBL1049993

SCHEMBL1049993

COC(=O)C=Cc1nn(Cc2ccc(F)cc2F)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.41
PTGER4 P35408 1/20 0.38
ENPP2 Q13822 1/20 0.37
PTGDR2 Q9Y5Y4 6/20 0.37
SLC22A12 Q96S37 1/20 0.37
PPARG P37231 2/20 0.36
VNN1 O95497 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1049991 1.00 KCNK3 (0.41) KCNK3PTGER4ENPP2PTGDR2SLC22A12
SCHEMBL1049285 0.93 KCNK3 (0.41) KCNK3PTGER4PTGDR2VNN1PKM
SCHEMBL1049284 0.93 KCNK3 (0.41) KCNK3PTGER4PTGDR2VNN1PKM
SCHEMBL5319814 0.91 KCNK3 (0.40) KCNK3PTGER4ENPP2PTGDR2SLC22A12
SCHEMBL5319812 0.91 KCNK3 (0.40) KCNK3PTGER4ENPP2PTGDR2SLC22A12
SCHEMBL1048115 0.89 ENPP2 (0.41) KCNK3PTGER4ENPP2PTGDR2SLC22A12
SCHEMBL1048113 0.89 ENPP2 (0.41) KCNK3PTGER4ENPP2PTGDR2SLC22A12
SCHEMBL1050359 0.88 PTGDR2 (0.39) KCNK3ENPP2PTGDR2PKMPKLR
SCHEMBL1050361 0.88 PTGDR2 (0.39) KCNK3ENPP2PTGDR2PKMPKLR
SCHEMBL4109351 0.87 F2RL3 (0.43) KCNK3ENPP2PTGDR2PPARGCYP1A2

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 KCNK3 3815/4885PTGER4 2999/4885ENPP2 1618/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR KCNK3 1808/4885PTGER4 2483/4885ENPP2 1075/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 KCNK3 145/4885PTGER4 2890/4885ENPP2 3917/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR KCNK3 1808/4885PTGER4 2483/4885ENPP2 1075/4885

“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.