SCHEMBL3274053

SCHEMBL3274053

Cc1cc(C)cc(NC(=O)c2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.79
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPT P10636 1/20 0.70
TDP1 Q9NUW8 1/20 0.66
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
KCNK3 O14649 3/20 0.65
KCNK9 Q9NPC2 3/20 0.65
POLB P06746 1/20 0.65
HTT P42858 2/20 0.62
FKBP5 Q13451 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.58
PTPN1 P18031 1/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
P2RX1 P51575 1/20 0.57

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
SCHEMBL22173521 0.96 THRB (0.73) THRBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15427597 0.87 THRB (0.66) THRBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13719742 0.86 NPC1 (0.74) THRBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22305399 0.86 KCNK3 (0.83) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL29434800 0.85 KCNK3 (0.87) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL259468 0.85 KCNK3 (0.87) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL27998555 0.85 KMT2A (0.69) THRBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25777244 0.84 P2RX1 (0.80) THRBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31103466 0.84 THRB (0.71) THRBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2912479 0.84 THRB (0.78) THRBNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION CANON KK (JP) 2023-04-27 US disclosed
US-11518889-B2 Modified graphene, method of producing modified graphene, modified graphene-resin composite, modified graphene sheet, and modified graphene dispersion CANON KABUSHIKI KAISHA (JP) 2022-12-06 US disclosed
US-20200270463-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION CANON KABUSHIKI KAISHA (JP) 2020-08-27 US disclosed
WO-2017044043-A1 PROCESS FOR DIRECT AMIDATION OF AMINES VIA RH(I)-CATALYZED ADDITION OF BOROXINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-03-16 WO disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
CN-1854128-B Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY 2012-05-16 CN disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
CN-1266112-C Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation MASSACHUSETTS INST TECHNOLOGY (US) 2006-07-26 CN disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 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 (6 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-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 THRB 3763/4885NPC1 4440/4885RAB9A 3819/4885
US-20200270463-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION GRIA1, GRIN1, NR3C1 THRB 2669/4885NPC1 1885/4885RAB9A 2015/4885
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION GRIA1, GRIN1, NR3C1 THRB 2652/4885NPC1 1913/4885RAB9A 2073/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 THRB 3667/4885NPC1 4536/4885RAB9A 3411/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 THRB 3667/4885NPC1 4536/4885RAB9A 3411/4885
US-11518889-B2 Modified graphene, method of producing modified graphene, modified graphene-resin composite, modified graphene sheet, and modified graphene dispersion GRIA1, GRIN1, NR3C1 THRB 2669/4885NPC1 1885/4885RAB9A 2015/4885

“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.