SCHEMBL2801974

SCHEMBL2801974

O=C(Nc1ccc(F)cc1)c1ccc(Cl)nc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 15/20 0.85
KCNQ2 O43526 15/20 0.85
KCNE1 P15382 11/20 0.85
KCNQ1 P51787 11/20 0.85
BACE1 P56817 1/20 0.85
RAB9A P51151 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
P4HTM Q9NXG6 1/20 0.67
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPT P10636 1/20 0.60

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
SCHEMBL5214418 0.92 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5215207 0.90 KCNQ3 (0.81) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL1986996 0.87 KCNQ3 (0.82) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL3313800 0.86 RAB9A (0.75) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL401818 0.86 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL4972665 0.85 KCNQ3 (0.66) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL8361559 0.84 RAB9A (1.00) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL16436052 0.84 KCNQ3 (0.65) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL2306301 0.84 RAB9A (0.76) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL14516647 0.84 RAB9A (0.72) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO claimed
EP-3725775-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2020-10-21 EP disclosed
EP-2942346-B1 PYRIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-05-06 EP disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
EP-2942346-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2015-11-11 EP disclosed
EP-2615092-B1 HETEROCYCLIC AMINO BERBAMINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO LTD (CN) 2015-08-26 EP disclosed
US-8987288-B2 Heterocyclic aminoberbamine derivatives, the preparation process and use thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-03-24 US disclosed
US-8987288-B2 Heterocyclic aminoberbamine derivatives, the preparation process and use thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-03-24 US disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
US-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 US disclosed
US-7141590-B2 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides UCB SA (GB) 2006-11-28 US disclosed
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LIMITED (GB) 2005-02-03 US disclosed
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed
US-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides DARWIN DISCOVERY LTD. (GB) 2003-01-02 US disclosed
WO-2002053544-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES DARWIN DISCOVERY LTD. (GB) 2002-07-11 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 (2 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-20030004189-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT KCNQ3 1517/4885KCNQ2 1152/4885KCNE1 2011/4885
US-20050026965-A1 Pharmaceutical uses and synthesis of nicotinanilide-N-oxides NNT, NAPRT, NNMT KCNQ3 1517/4885KCNQ2 1152/4885KCNE1 2011/4885

“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.