SCHEMBL2789136

SCHEMBL2789136

O=CC(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 5/20 0.38
CYP19A1 P11511 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GCGR P47871 1/20 0.37
SLC6A9 P48067 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL3540663 0.87 IDO1 (0.41)
SCHEMBL7214541 0.82 USP2 (0.39) LTA4HMEN1KMT2ATAAR1MAPKAPK2
SCHEMBL5921850 0.81 KIF11 (0.48) CYP19A1CYP11B2
SCHEMBL6502611 0.80 POLB (0.51) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL3403146 0.80 CYP11B1 (0.41) CYP19A1CYP11B1CYP11B2
SCHEMBL6189088 0.80 PTGDR2 (0.36) MAPK14CYP19A1PTGDR2
SCHEMBL5184111 0.80 CYP19A1 (0.61) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL6504970 0.80 CYP19A1 (0.39) KMT2ARAB9ACYP19A1
SCHEMBL8309987 0.80 LMNA (0.42) KMT2ARAB9ACYP19A1CYP11B1
SCHEMBL20521097 0.79 ALDH1A1 (0.42) USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046215-A2 DIAZA-INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-04-29 WO disclosed
EP-2136640-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngeta Participations AG (CH) 2009-12-30 EP disclosed
WO-2008132434-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1278520-A4 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2003-05-02 EP disclosed
WO-2003024447-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 SMITHKLINE BEECHAM CORPORATION (US) 2003-03-27 WO disclosed
EP-1278520-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS Merck & Co., Inc. (US) 2003-01-29 EP disclosed
EP-1131318-A1 PROCESS FOR MAKING 5-SUBSTITUTED PYRAZOLES USING DITHIETANES G.D. SEARLE & CO. (US) 2001-09-12 EP disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP disclosed
WO-2001034150-A1 ALIPHATIC AMINE SUBSTITUTED PIPERIDYL DIARYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
CN-1261885-A 2-substituted 4, 5-diarylimidazoles NOVARTIS AG (CH) 2000-08-02 CN disclosed
WO-2000031072-A1 PROCESS FOR MAKING 5-SUBSTITUTED PYRAZOLES USING DITHIETANES G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 WO disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 WO disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed
EP-0863757-A4 1998-09-16 EP disclosed
EP-0863757-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-09-16 EP disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP 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 (1 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 LTA4H 825/4885MEN1 4508/4885KMT2A 4107/4885

“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.