SCHEMBL2197186

SCHEMBL2197186

CC(C)(C)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.65
GAA P10253 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
TGM2 P21980 1/20 0.56
KDM4E B2RXH2 3/20 0.55
LCK P06239 1/20 0.54
CTSL P07711 1/20 0.54
PTPRC P08575 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
CTSS P25774 1/20 0.54
PTPN13 Q12923 1/20 0.54
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
P2RX1 P51575 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL19280335 0.89 GAA (0.60) NPSR1GAATGM2KDM4EALDH1A1
SCHEMBL16722802 0.87 NPSR1 (0.76) NPSR1L3MBTL1KDM4ELCKCTSL
SCHEMBL22081028 0.83 GAA (0.62) NPSR1GAAL3MBTL1TGM2ALDH1A1
SCHEMBL17026960 0.82 GAA (0.56) NPSR1GAATGM2KDM4EALDH1A1
SCHEMBL1820206 0.82 L3MBTL1 (0.65) GAAL3MBTL1TGM2KDM4EALDH1A1
SCHEMBL10069968 0.81 RAB9A (0.71) NPSR1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL9123617 0.80 NPSR1 (0.67) NPSR1GAAL3MBTL1KDM4EALDH1A1
SCHEMBL1131584 0.80 NPSR1 (0.67) NPSR1L3MBTL1KDM4ELCKCTSL
SCHEMBL16350809 0.80 L3MBTL1 (0.72) NPSR1L3MBTL1KDM4EALDH1A1RAB9A
SCHEMBL13899725 0.80 NPSR1 (0.67) NPSR1L3MBTL1KDM4ELCKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954705-A Indole derivative and preparation method thereof 南阳师范学院 2025-05-09 CN claimed
CN-119954705-A Indole derivative and preparation method thereof 南阳师范学院 2025-05-09 CN disclosed
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 CN disclosed
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2022-08-11 US disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 CN disclosed
CN-113912529-A Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium 成都大学 2022-01-11 CN disclosed
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-02-11 US disclosed
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 US disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 EP disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 EP disclosed
WO-2013040515-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-21 WO disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 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 (7 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-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C NPSR1 333/4885GAA 675/4885L3MBTL1 2484/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS NPSR1 4580/4885GAA 2917/4885L3MBTL1 3522/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C NPSR1 333/4885GAA 675/4885L3MBTL1 2484/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS NPSR1 4580/4885GAA 2917/4885L3MBTL1 3522/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS NPSR1 4580/4885GAA 2917/4885L3MBTL1 3522/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C NPSR1 333/4885GAA 675/4885L3MBTL1 2484/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NPSR1 511/4885GAA 808/4885L3MBTL1 1189/4885

“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.