SCHEMBL4238772

SCHEMBL4238772

CCOc1ccc([N+](=O)[O-])cc1OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 5/20 0.62
LMNA P02545 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 2/20 0.56
POLB P06746 2/20 0.56
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
PTGS2 P35354 1/20 0.50
CYP19A1 P11511 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL30365378 1.00 MAPT (0.62) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL10454986 0.93 MAPT (0.56) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL1008451 0.91 HTT (0.60) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL2372812 0.91 HTT (0.60) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL27510250 0.90 MAPT (0.57) MAPTKMT2AALDH1A1LMNANPSR1
Water SCHEMBL8973907 0.89 HTT (0.57) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL27740868 0.88 MAPT (0.62) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL18660021 0.86 POLB (0.52) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL4226708 0.86 CYP19A1 (0.63) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL2084753 0.86 HTT (0.67) MAPTKMT2AALDH1A1LMNANPSR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106631856-B Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-benzoyl -1,4- phenylenediamine and preparation method thereof 长安大学 2019-03-19 CN claimed
CN-106631856-A Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-benzoyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN claimed
CN-112996784-B Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2023-05-30 CN disclosed
CN-112996784-A Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2021-06-18 CN disclosed
WO-2020057403-A1 INDOLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 北京越之康泰生物医药科技有限公司 2020-03-26 WO disclosed
CN-106631874-B Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-acetyl group -1,4- phenylenediamine and preparation method thereof 长安大学 2019-05-10 CN disclosed
CN-106631874-A Arylamine nitrogen mustard derivative N,N-bis(2-chloroethyl)-N'-acetyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN disclosed
CN-102911060-B Method for preparing decoquinate intermediate 2-oxethyl-4-nitrophenol potassium QILU ANIMAL HEALTH PRODUCTS CO 2014-04-23 CN disclosed
CN-102911060-A Method for preparing decoquinate intermediate 2-oxethyl-4-nitrophenol potassium QILU ANIMAL HEALTH PRODUCTS CO 2013-02-06 CN disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
CN-101012195-A Method of preparing 4-hydroxy-6-decyloxy-7-ethoxy-3-quinoline carboxylic acid ethyl ester CHANGSHU OUYAJI BIOMEDICINE IN (CN) 2007-08-08 CN disclosed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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 (2 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R MAPT 1398/4885KMT2A 3436/4885ALDH1A1 4542/4885
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A MAPT 4388/4885KMT2A 3175/4885ALDH1A1 395/4885

“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.