SCHEMBL2090725

SCHEMBL2090725

CN(C=O)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
RECQL P46063 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2A13 Q16696 1/20 0.38
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
PYCR1 P32322 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL2091673 0.78 ALDH1A1 (0.52) MAPTLMNARAB9ACYP2A6CYP2A13
SCHEMBL1031222 0.78 CYP2A6 (0.39) MAPTCYP2A6CYP2A13ALDH1A1HPGD
SCHEMBL9512083 0.76 ALDH1A1 (0.54) MAPTRECQLLMNACYP2A6CYP2A13
SCHEMBL2096460 0.76 ALDH1A1 (0.45) MAPTLMNARAB9ACYP2A6CYP2A13
SCHEMBL14093915 0.76 CYP2A6 (0.38) CYP2A6CYP2A13ALDH1A1TSHRALOX15
SCHEMBL11098248 0.76 CYP2A6 (0.67) CYP2A6CYP2A13ALDH1A1KDM4EHSD17B10
SCHEMBL203434 0.76 CYP2A6 (0.38) CYP2A6CYP2A13ALDH1A1TSHRALOX15
SCHEMBL1031223 0.76 APP (0.48) MAPTRECQLLMNARAB9ACYP2A6
SCHEMBL2099516 0.76 APP (0.48) MAPTCYP2A6CYP2A13ALDH1A1CES2
SCHEMBL2096896 0.76 APP (0.48) MAPTRAB9ACYP2A6CYP2A13CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022096361-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-12 WO disclosed
EP-3992191-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS Deutsches Krebsforschungszentrum (DE) 2022-05-04 EP disclosed
CN-112169836-A Porous ionic polymer heterogeneous catalyst and method for catalytically synthesizing N-formamide by using same 广东石油化工学院 2021-01-05 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAPT 4117/4885RECQL 3217/4885LMNA 4152/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX MAPT 3924/4885RECQL 4515/4885LMNA 855/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO MAPT 4623/4885RECQL 4797/4885LMNA 4794/4885

“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.