SCHEMBL2302302

SCHEMBL2302302

COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
P4HTM Q9NXG6 1/20 0.69
KMT2A Q03164 5/20 0.67
NPC1 O15118 5/20 0.67
MEN1 O00255 4/20 0.67
TP53 P04637 2/20 0.67
NR2F2 P24468 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
ALOX15 P16050 1/20 0.67
KCNQ3 O43525 4/20 0.64
KCNQ2 O43526 4/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
KCNE1 P15382 2/20 0.60
KCNQ1 P51787 2/20 0.60
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.58

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
SCHEMBL2302037 0.87 KCNQ3 (0.67) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL3309155 0.87 PPARG (0.60) RAB9ASMN1; SMN2P4HTMKMT2ANPC1
SCHEMBL3309149 0.87 LMNA (0.58) RAB9ASMN1; SMN2P4HTMKMT2ANPC1
SCHEMBL2302748 0.87 RAB9A (0.74) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL31254487 0.85 NPC1 (0.66) RAB9ASMN1; SMN2P4HTMKMT2ANPC1
SCHEMBL2303815 0.84 KCNQ3 (0.77) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL8361559 0.84 RAB9A (1.00) RAB9ASMN1; SMN2P4HTMKMT2ANPC1
SCHEMBL3788719 0.83 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL13210715 0.83 P4HTM (0.78) RAB9ASMN1; SMN2P4HTMKMT2ANPC1
SCHEMBL6631748 0.83 RAB9A (0.64) RAB9ASMN1; SMN2KMT2AMEN1KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133143-B2 (3-fluoro-2-hydroxy)propyl-functionalized aryl derivatives or pharmaceutically acceptable salts thereof, method for preparing same, and pharmaceutical composition containing same as active ingredient for the diagnosis or treatment of neurodegenerative brain diseases FUTURECHEM CO., LTD. (KR) 2015-09-15 US disclosed
CN-102725285-B (3-fluoro-2-hydroxy) propyl-functional aryl derivative or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition for diagnosing or treating brain degenerative diseases comprising same as active ingredient FUTURECHEM CO LTD 2015-05-20 CN disclosed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8575204-B2 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
EP-2258687-B1 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
CN-102725285-A (3-fluoro-2-hydroxy) propyl-functional aryl derivative or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition for diagnosing or treating brain degenerative diseases comprising same as active ingredient FUTURECHEM CO LTD 2012-10-10 CN disclosed
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US disclosed
EP-1257536-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-11-20 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-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-01-24 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
WO-2001055115-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-08-02 WO 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 (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-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, BAD, CASP12 RAB9A 1146/4885SMN1; SMN2 2117/4885P4HTM 2883/4885
US-20020035094-A1 Substituted pyridine compounds and methods of use IL1B, IL6, IL1A RAB9A 2767/4885SMN1; SMN2 2578/4885P4HTM 402/4885

“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.