SCHEMBL4776237

SCHEMBL4776237

O=C(O)c1cccc(Oc2ccccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.65
LOXL2 Q9Y4K0 3/20 0.63
PPARG P37231 1/20 0.60
IP6K1 Q92551 2/20 0.60
IP6K3 Q96PC2 2/20 0.60
IP6K2 Q9UHH9 2/20 0.60
KDM4E B2RXH2 1/20 0.55
KDM6B O15054 1/20 0.55
KDM4A O75164 1/20 0.55
KDM5C P41229 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
F2 P00734 2/20 0.54
F10 P00742 2/20 0.54
NR4A2 P43354 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KMO O15229 1/20 0.51
GRM5 P41594 1/20 0.50

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
SCHEMBL5310793 0.86 MEN1 (0.70) AKR1C3LOXL2PPARGIP6K1IP6K3
SCHEMBL23189218 0.86 TNKS (0.58) AKR1C3LOXL2PPARGIP6K1IP6K3
SCHEMBL11305590 0.86 MEN1 (0.50) AKR1C3LOXL2PPARGIP6K1IP6K3
SCHEMBL5582337 0.85 AKR1C3 (0.70) AKR1C3LOXL2PPARGKDM4EF2
SCHEMBL17336675 0.84 ERCC5 (0.55) AKR1C3LOXL2PPARGIP6K1IP6K3
SCHEMBL11304260 0.82 F10 (0.56) LOXL2PPARGF2F10KMT2A
SCHEMBL505405 0.82 IP6K1 (0.60) LOXL2PPARGIP6K1IP6K3IP6K2
SCHEMBL29720129 0.82 KMT2A (0.73) AKR1C3LOXL2KDM4EF2F10
SCHEMBL30362588 0.82 IP6K1 (0.60) LOXL2PPARGIP6K1IP6K3IP6K2
SCHEMBL6798209 0.82 KMT2A (0.73) AKR1C3LOXL2KDM4EF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 WO disclosed
EP-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed
EP-0595995-A4 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1994-08-24 EP disclosed
EP-0595995-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1994-05-11 EP disclosed
US-5214204-A Inhibitors of biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
WO-1993002037-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1993-02-04 WO disclosed
EP-0147477-B1 PYRIDYLOXYBENZANILIDE DERIVATIVE AND HERBICIDE CONTAINING IT HODOGAYA CHEMICAL CO., LTD. (JP) 1987-11-04 EP disclosed
US-3994908-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIRHEUMATIC SHIONOGI & CO., LTD. (JA) 1976-11-30 US disclosed
US-3940403-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1976-02-24 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 (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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H AKR1C3 2316/4885LOXL2 4452/4885PPARG 3244/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H AKR1C3 2295/4885LOXL2 4445/4885PPARG 3205/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B AKR1C3 1475/4885LOXL2 2724/4885PPARG 1748/4885

“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.