SCHEMBL1047709

SCHEMBL1047709

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.41
PTGER4 P35408 2/20 0.41
PTGER1 P34995 3/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGDR Q13258 1/20 0.40
AKR1B1 P15121 1/20 0.40
SLC22A12 Q96S37 3/20 0.39

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
SCHEMBL4101041 0.91 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1049103 0.91 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1048270 0.91 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050871 0.89 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050602 0.88 CNR1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9MEN1
SCHEMBL1048230 0.87 PTGDR2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9MEN1
SCHEMBL1049625 0.86 RORC (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1047949 0.85 MEN1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1051529 0.85 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14595171 0.83 CYP1A2 (0.63) 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 11 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
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 CN 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-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.