SCHEMBL998580

SCHEMBL998580

O=C(O)CCc1nn(Cc2ccc(Cl)cc2Cl)c2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
PMP22 Q01453 1/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMO O15229 3/20 0.53
SLC22A12 Q96S37 5/20 0.51
NPC1 O15118 1/20 0.46
SLC16A3 O15427 1/20 0.44
SLC16A1 P53985 1/20 0.44
MCTS1 Q9ULC4 1/20 0.44
ALDH1A1 P00352 2/20 0.42
JAK2 O60674 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL12787869 0.92 PPARG (0.54) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5321575 0.90 SLC22A12 (0.52) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1050445 0.90 PPARG (0.49) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5319646 0.87 PPARG (0.49) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14627391 0.85 CYP1A2 (0.53) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5320016 0.85 SLC22A12 (0.49) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5317751 0.84 CYP1A2 (0.47) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1048450 0.83 AKR1B1 (0.52) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5317347 0.83 CYP1A2 (0.45) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5316023 0.82 PPARG (0.46) PPARGCYP1A2CYP3A4CYP2D6CYP2C9

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 33 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
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP claimed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US claimed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO 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-20170166891-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA BERG PHARMA LLC 2017-06-15 US disclosed
EP-3152307-A2 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA Berg LLC (US) 2017-04-12 EP 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-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-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
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

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-20170166891-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA HSP90AB1, HSP90AB2P, HSP90AA1 PPARG 298/4885CYP1A2 3639/4885CYP3A4 4274/4885
US-20150353930-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA HSP90AB1, HSP90AB2P, HSP90AA1 PPARG 97/4885CYP1A2 4117/4885CYP3A4 4580/4885
US-10023864-B2 Methods of treating a metabolic syndrome by modulating heat shock protein (HSP) 90-beta HSP90AB1, HSP90AB2P, HSP90AA1 PPARG 97/4885CYP1A2 4117/4885CYP3A4 4580/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PPARG 3222/4885CYP1A2 348/4885CYP3A4 1218/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 PPARG 1569/4885CYP1A2 4345/4885CYP3A4 3630/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PPARG 3222/4885CYP1A2 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.