SCHEMBL4093247

SCHEMBL4093247

O=C(O)/C=C/c1nn(Cc2ccc(Cl)cc2Cl)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 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
ENPP2 Q13822 2/20 0.43
SLC16A3 O15427 2/20 0.42
SLC16A1 P53985 2/20 0.42
MCTS1 Q9ULC4 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
NPC1 O15118 1/20 0.40
EPHX2 P34913 2/20 0.40
TBXA2R P21731 2/20 0.39
PTGFR P43088 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGIR P43119 2/20 0.39
PTGDR Q13258 2/20 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
SCHEMBL1050505 1.00 CYP2C9 (0.45) CYP2C9CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1050357 0.92 ENPP2 (0.44) CYP2C9CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4098769 0.92 ENPP2 (0.44) CYP2C9CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1049936 0.92 ENPP2 (0.42) CYP2C9CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4101180 0.92 ENPP2 (0.42) CYP2C9CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1050561 0.91 ENPP2 (0.42) CYP2C9CYP1A2CYP2D6ENPP2SLC16A3
SCHEMBL1049961 0.91 SLC16A3 (0.41) CYP2C9ENPP2SLC16A3SLC16A1MCTS1
SCHEMBL1050565 0.91 ENPP2 (0.42) CYP2C9CYP1A2CYP2D6ENPP2SLC16A3
SCHEMBL1049962 0.91 SLC16A3 (0.41) CYP2C9ENPP2SLC16A3SLC16A1MCTS1
SCHEMBL1048828 0.90 LMNA (0.41) CYP2C9CYP1A2CYP3A4CYP2D6TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 US claimed
US-8377958-B2 Lonidamine analogues for fertility management THE UNIVERSITY OF KANSAS (US) 2013-02-19 US claimed
US-8362031-B2 Lonidamine analogues and treatment of polycystic kidney disease UNIVERSITY OF KANSAS (US) 2013-01-29 US claimed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US claimed
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 claimed
EP-2854865-B1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA BERG LLC (US) 2019-02-20 EP disclosed
US-10023864-B2 Methods of treating a metabolic syndrome by modulating heat shock protein (HSP) 90-beta BERG LLC (US) 2018-07-17 US disclosed
US-9533002-B2 Methods of treating a metabolic syndrome by modulating heat shock protein (HSP) 90-β BERG LLC (US) 2017-01-03 US disclosed
US-20150353930-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA BERG LLC 2015-12-10 US disclosed
US-20140154266-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA BERG PHARMA LLC (US) 2014-06-05 US disclosed
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 US disclosed
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 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-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
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
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
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 US disclosed
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 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 (6 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-20150353930-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA HSP90AB1, HSP90AB2P, HSP90AA1 CYP2C9 4450/4885CYP1A2 4117/4885CYP3A4 4580/4885
US-10023864-B2 Methods of treating a metabolic syndrome by modulating heat shock protein (HSP) 90-beta HSP90AB1, HSP90AB2P, HSP90AA1 CYP2C9 4450/4885CYP1A2 4117/4885CYP3A4 4580/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP2C9 784/4885CYP1A2 348/4885CYP3A4 1218/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 CYP2C9 3125/4885CYP1A2 4345/4885CYP3A4 3630/4885
US-20140154266-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA HSP90AB1, HSP90AB2P, HSP90AA1 CYP2C9 4297/4885CYP1A2 3639/4885CYP3A4 4274/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP2C9 784/4885CYP1A2 348/4885CYP3A4 1218/4885

“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.