SCHEMBL2918147

SCHEMBL2918147

COc1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.83
RAB9A P51151 5/20 0.83
HPGD P15428 1/20 0.77
ALDH1A1 P00352 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
ALOX12 P18054 1/20 0.74
CYP2C19 P33261 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
EPHX2 P34913 1/20 0.71
NR1H4 Q96RI1 1/20 0.71
GAA P10253 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
CXCR3 P49682 1/20 0.69
MAOA P21397 1/20 0.67
HDAC2 Q92769 1/20 0.66

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
SCHEMBL2526264 0.94 NPC1 (0.83) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL11761142 0.92 NPC1 (0.82) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL9416606 0.92 NPC1 (0.82) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL1926263 0.91 NPC1 (1.00) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL8432161 0.90 NPC1 (0.69) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL5331526 0.88 MMP13 (0.74) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL11900090 0.86 HDAC6 (0.85) RAB9AHPGDEPHX2NR1H4HDAC2
SCHEMBL25442568 0.86 NPC1 (0.74) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL12215290 0.86 NPC1 (0.74) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL5863585 0.86 NPC1 (0.74) NPC1RAB9AHPGDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed
CN-118005468-B Method for synthesizing N-alkylated amide compound by catalyzing alcohols and nitriles with nitrogen-carbon material 常州大学 2026-05-19 CN disclosed
CN-118005468-A Method for synthesizing N-alkylated amide compound by catalyzing alcohols and nitriles with nitrogen-carbon material 常州大学 2024-05-10 CN disclosed
CN-110818576-B Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2023-02-24 CN disclosed
CN-110818576-A Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2020-02-21 CN disclosed
CN-105016938-B Method for preparing N-alkyl amide 南京理工大学 2017-04-19 CN disclosed
US-9463451-B2 Ligand, metal complex containing ligand, and reaction using metal complex containing ligand NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-10-11 US disclosed
CN-105820061-A Method for synthesizing N-alkylamide 南京理工大学 2016-08-03 CN disclosed
US-9334230-B2 Process of forming an amide NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-04-21 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed
CN-1791412-A Novel compounds and their use in therapy SOLVAY PHARM GMBH (NL) 2006-06-21 CN disclosed
US-6958243-B2 Performing a one-pot organic reaction, which includes carbon monoxide (CO) as reactant and does not use of an external gas source, by contacting a non-catalyzing CO releasing compound such as a metal carbonyl with an energy source BIOTAGE AB (SE) 2005-10-25 US disclosed
US-20050221389-A1 Organic reactions with CO generating materials BIOTAGE AB (SE) 2005-10-06 US disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US disclosed
US-20020161266-A1 Performing a one-pot organic reaction, which includes carbon monoxide (CO) as reactant and does not use of an external gas source, by contacting a non-catalyzing CO releasing compound such as a metal carbonyl with an energy source BIOTAGE AB (SE) 2002-10-31 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 (5 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-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 NPC1 618/4885RAB9A 3568/4885HPGD 96/4885
US-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND HRH3, HRH2, HRH4 NPC1 4631/4885RAB9A 461/4885HPGD 2575/4885
US-20050221389-A1 Organic reactions with CO generating materials KIT, NOS1, NOS2 NPC1 2348/4885RAB9A 2410/4885HPGD 531/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 NPC1 618/4885RAB9A 3568/4885HPGD 96/4885
US-20020161266-A1 Performing a one-pot organic reaction, which includes carbon monoxide (CO) as reactant and does not use of an external gas source, by contacting a non-catalyzing CO releasing compound such as a metal carbonyl with an energy source KIT, CBR1, NOS1 NPC1 2484/4885RAB9A 2457/4885HPGD 944/4885

“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.