SCHEMBL4063955

SCHEMBL4063955

O=C(Nc1ccc(F)cc1F)c1ccc(Cl)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
KDM4E B2RXH2 2/20 0.60
HTT P42858 1/20 0.60
KCNQ3 O43525 7/20 0.59
KCNQ2 O43526 7/20 0.59
KCNE1 P15382 7/20 0.59
KCNQ1 P51787 7/20 0.59
BACE1 P56817 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MDM4 O15151 1/20 0.56
TP53 P04637 1/20 0.56
MDM2 Q00987 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL3311781 0.91 LMNA (0.55) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL1233691 0.89 HDAC1 (0.68) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL2306038 0.88 MDM4 (0.54) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL2302927 0.84 ALDH1A1 (0.64) RAB9ALMNAKCNQ3KCNQ2KCNE1
SCHEMBL4762998 0.83 NPC1 (0.66) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL4073255 0.83 MDM4 (0.70) NPC1RAB9AKDM4EHTTKCNQ3
SCHEMBL6709928 0.82 KCNMA1 (0.54) NPC1RAB9AHTTKCNQ3KCNQ2
SCHEMBL30739586 0.80 HDAC1 (0.75) NPC1RAB9APOLBHTTGAA
SCHEMBL2801974 0.80 KCNQ3 (0.85) RAB9ALMNAKCNQ3KCNQ2KCNE1
SCHEMBL4851457 0.79 F10 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-20020035094-A1 Substituted pyridine compounds and methods of use AMGEN INC. 2002-03-21 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
US-6022884-A PROPHYLAXIS OR TREATMENT OF INFLAMMATION AMGEN INC. (US) 2000-02-08 US disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 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 (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-20020035094-A1 Substituted pyridine compounds and methods of use IL1B, IL6, IL1A NPC1 2800/4885RAB9A 2767/4885LMNA 3850/4885

“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.