SCHEMBL4467915

SCHEMBL4467915

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
KCNQ3 O43525 9/20 0.61
KCNQ2 O43526 9/20 0.61
KCNE1 P15382 8/20 0.61
KCNQ1 P51787 8/20 0.61
BACE1 P56817 1/20 0.61
NAPRT Q6XQN6 1/20 0.58
LTA4H P09960 1/20 0.53
VNN1 O95497 1/20 0.52
DGAT1 O75907 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29457431 1.00 NPC1 (0.62) NPC1RXFP1KCNQ3KCNQ2KCNE1
SCHEMBL7440808 0.88 NAPRT (0.72) NPC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2475597 0.85 NAPRT (0.62) NPC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL31473447 0.83 NAPRT (0.66) NPC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL25981388 0.83 NPC1 (0.59) NPC1RXFP1KCNQ3KCNQ2KCNE1
SCHEMBL3383611 0.83 NAPRT (0.66) NPC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL16460479 0.82 KCNQ3 (0.62) NPC1RXFP1KCNQ3KCNQ2KCNE1
SCHEMBL17676098 0.81 RAB9A (0.64) NPC1KCNQ3KCNQ2NAPRTDGAT1
SCHEMBL5305773 0.81 NAPRT (0.58) NPC1RXFP1KCNQ3KCNQ2KCNE1
SCHEMBL5046191 0.81 NPC1 (0.66) NPC1RXFP1KCNQ3KCNQ2LTA4H

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
US-4736037-A 2-halo-aryl-pyridinemethanols with analgesic or antiinflammatory activity LACER, S.A. (ES) 1988-04-05 US disclosed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US disclosed
EP-0032516-B1 NEW 2-HALO-PYRIDINES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS LACER, S.A. (ES) 1984-05-02 EP disclosed
EP-0032516-A1 New 2-halo-pyridines, their production and pharmaceutical compositions LACER, S.A. (ES) 1981-07-29 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 (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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 NPC1 1123/4885RXFP1 49/4885KCNQ3 1333/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 NPC1 1123/4885RXFP1 49/4885KCNQ3 1333/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E NPC1 510/4885RXFP1 2403/4885KCNQ3 3325/4885

“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.