SCHEMBL8032078

SCHEMBL8032078

O=C(O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.62
▸ CYP11B1 P15538 1/20 0.57
▸ CYP11B2 P19099 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ IDO1 P14902 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ PABPC1 P11940 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ HCAR3 P49019 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ PLA2G4A P47712 1/20 0.48
▸ NR1I2 O75469 1/20 0.48

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
SCHEMBL13508660 0.89 CYP11B1 (0.57) PPARGCYP11B1CYP11B2MAPK1HTT
SCHEMBL8038655 0.88 PPARG (0.64) PPARGMEN1TP53PABPC1KMT2A
SCHEMBL16713345 0.88 PKM (0.54) PPARGIDO1MEN1TP53PABPC1
SCHEMBL22533960 0.86 MEN1 (0.49) PPARGMEN1TP53PABPC1KMT2A
SCHEMBL28720229 0.85 HCAR3 (0.49) PPARGCYP11B1CYP11B2MEN1TP53
SCHEMBL29424692 0.85 HCAR3 (0.49) PPARGCYP11B1CYP11B2MEN1TP53
SCHEMBL8042067 0.85 PPARG (0.60) PPARGCYP11B1CYP11B2MAPK1HTT
SCHEMBL13187230 0.82 CYP11B1 (0.71) PPARGCYP11B1CYP11B2MAPK1HTT
SCHEMBL8038702 0.81 PPARG (0.65) PPARGHCAR3FGFR1NR1I2THRB
SCHEMBL14376778 0.81 HDAC6 (0.71) PPARGCYP11B1CYP11B2MAPK1HTT

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
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 — — US disclosed
US-20140249196-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2014-09-04 — — US disclosed
US-20140249196-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2014-09-04 — — US disclosed
US-20140249196-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2014-09-04 — — US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 — — US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 — — US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 — — US disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO 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 (3 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-20140249196-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG PPARG, CDK5, CDK5R1 PPARG 1/4885CYP11B1 473/4885CYP11B2 990/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 PPARG 2094/4885CYP11B1 2110/4885CYP11B2 2253/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 PPARG 2388/4885CYP11B1 3424/4885CYP11B2 3502/4885

“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.

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