SCHEMBL221050

SCHEMBL221050

COc1c[c]c2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
NQO2 P16083 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NQO1 P15559 1/20 0.41
CA4 P22748 1/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 2/20 0.37
TRPA1 O75762 1/20 0.35
CASP3 P42574 2/20 0.35

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
SCHEMBL2252612 0.86 CYP1A2 (0.50) CYP1A2CYP2A6NQO2NPC1RAB9A
SCHEMBL21830263 0.82 CYP1A2 (0.48) CYP1A2CYP2A6NQO2NPC1RAB9A
SCHEMBL19616790 0.80 CYP1A2 (0.36) CYP1A2CYP2A6NPC1RAB9ALMNA
SCHEMBL2253355 0.79 L3MBTL1 (0.42) NPC1RAB9AKDM4EMEN1POLB
SCHEMBL1218975 0.78 LTA4H (0.46) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL28890619 0.77 PDGFRB (0.43) LMNASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL7433028 0.77 GPBAR1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL5538519 0.76 GPR3 (0.36) CYP1A2CYP2A6NPC1RAB9ALMNA
SCHEMBL2253948 0.75 LTA4H (0.46) CYP1A2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL152913 0.74 CYP1A2 (0.55) CYP1A2CYP2A6NQO2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808045-B Method for synthesizing chiral seven-element cyclic sulfonamide through organic catalysis 中国科学院大连化学物理研究所 2022-07-08 CN claimed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US claimed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN claimed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
US-20160067162-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-03-10 US claimed
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-20240201593-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-06-20 US disclosed
CN-118159910-A Additive-containing silicon-containing resist underlayer film forming composition 日产化学株式会社 2024-06-07 CN disclosed
CN-117940850-A Composition for forming silicon-containing resist underlayer film, laminate using same, and method for producing semiconductor element 日产化学株式会社 2024-04-26 CN disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 EP disclosed
US-4716169-A INOTROPIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-12-29 US disclosed
EP-0185345-A1 Imidazo derivatives, their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1986-06-25 EP disclosed
EP-0185346-A2 Imidazo derivatives, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1986-06-25 EP disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 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 (3 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-20160067162-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF CBR3, CBR1, C9 CYP1A2 232/4885CYP2A6 815/4885NQO2 351/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 CYP1A2 115/4885CYP2A6 186/4885NQO2 1000/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 CYP1A2 2084/4885CYP2A6 4691/4885NQO2 708/4885

“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.