SCHEMBL4094678

SCHEMBL4094678

COC(=O)c1nn(Cc2ccc(Cl)cc2F)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
VNN1 O95497 1/20 0.41
MCL1 Q07820 1/20 0.41
PTGER4 P35408 1/20 0.41
AKR1B1 P15121 1/20 0.41
CCR2 P41597 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.40
KLKB1 P03952 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RORC P51449 1/20 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
SCHEMBL1048070 0.92 NR1H2 (0.43) NR1H2NR1H3CYP1A2CYP3A4CYP2D6
SCHEMBL1049483 0.91 NPSR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050417 0.91 MCL1 (0.48) NR1H2NR1H3CYP1A2CYP3A4CYP2D6
SCHEMBL1050196 0.90 KCNK3 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9VNN1
SCHEMBL998643 0.88 CYP1A2 (0.55) NR1H2NR1H3CYP1A2CYP3A4CYP2D6
SCHEMBL1051064 0.87 PTGER4 (0.44) NR1H2NR1H3CYP1A2CYP3A4CYP2D6
SCHEMBL1050526 0.86 MAPT (0.45) NR1H2NR1H3CYP1A2CYP3A4CYP2D6
SCHEMBL1049707 0.86 MCL1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL998778 0.85 CYP1A2 (0.59) NR1H2NR1H3CYP1A2CYP3A4CYP2D6
SCHEMBL1046218 0.84 CYP1A2 (0.47) NR1H2NR1H3CYP1A2CYP3A4CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US 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 NR1H2 2448/4885NR1H3 2769/4885CYP1A2 3302/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885CYP1A2 348/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 NR1H2 2464/4885NR1H3 2927/4885CYP1A2 4345/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885CYP1A2 348/4885

“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.