SCHEMBL1052045

SCHEMBL1052045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.40
PTGER1 P34995 1/20 0.40
CNR1 P21554 1/20 0.40
ENPP2 Q13822 1/20 0.40
PTGER4 P35408 3/20 0.39
GRM2 Q14416 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
GUCY1A1 Q02108 2/20 0.38
GUCY1B1 Q02153 2/20 0.38
AKR1B1 P15121 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL1049751 0.96 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1047174 0.94 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1045315 0.92 PTGDR2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9TP53
SCHEMBL1046113 0.91 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL5319096 0.90 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1048094 0.89 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1051693 0.89 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1049951 0.89 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1049528 0.89 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1051277 0.89 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9TSHR

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 9 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
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
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 CYP1A2 3302/4885CYP3A4 4010/4885CYP2D6 3946/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP1A2 348/4885CYP3A4 1218/4885CYP2D6 580/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 CYP1A2 4345/4885CYP3A4 3630/4885CYP2D6 3639/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP1A2 348/4885CYP3A4 1218/4885CYP2D6 580/4885

“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.