SCHEMBL4188909

SCHEMBL4188909

O=C(CCCl)Nc1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.59
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
HDAC4 P56524 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 1/20 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
SCHEMBL29720309 1.00 NLRP3 (0.59) NLRP3ALDH1A1CYP1A2HDAC4MEN1
SCHEMBL2885788 0.86 NLRP3 (0.64) NLRP3ALDH1A1CYP1A2HDAC4MAPT
SCHEMBL4602459 0.86 NLRP3 (0.62) NLRP3ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL30675594 0.86 NLRP3 (0.62) NLRP3ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL439465 0.86 HDAC4 (0.71) NLRP3ALDH1A1CYP1A2HDAC4MEN1
SCHEMBL441932 0.86 HDAC4 (0.67) NLRP3ALDH1A1CYP1A2HDAC4MEN1
SCHEMBL13233238 0.84 HDAC4 (0.65) NLRP3ALDH1A1CYP1A2HDAC4MEN1
SCHEMBL7093999 0.84 ALDH1A1 (0.58) NLRP3ALDH1A1CYP1A2HDAC4MEN1
SCHEMBL5142374 0.83 ALDH1A1 (0.66) NLRP3ALDH1A1CYP1A2HDAC4MEN1
SCHEMBL11014261 0.83 L3MBTL1 (0.67) NLRP3ALDH1A1CYP1A2HDAC4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101302195-B Novel synthetic method of 7-hydroxy-3,4-dihydroquinolines HANGZHOU GREAT FOREST BIOMEDICAL LTD 2010-06-09 CN claimed
CN-101302195-A Novel synthetic method of 7-hydroxy-3,4-dihydroquinolines HANGZHOU GREAT FOREST BIOMEDIC (CN) 2008-11-12 CN claimed
CN-112745262-B Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2022-07-12 CN disclosed
CN-112745262-A Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2021-05-04 CN disclosed
CN-109096249-B Synthesis method of aripiprazole 中国科学院兰州化学物理研究所 2021-04-09 CN disclosed
CN-104356063-A Preparation method of 7-hydroxy-3,4-dihydro-2-(1H) carbostyril UNIV EAST CHINA NORMAL 2015-02-18 CN disclosed
CN-101302195-B Novel synthetic method of 7-hydroxy-3,4-dihydroquinolines HANGZHOU GREAT FOREST BIOMEDICAL LTD 2010-06-09 CN disclosed
CN-101302195-B Novel synthetic method of 7-hydroxy-3,4-dihydroquinolines HANGZHOU GREAT FOREST BIOMEDICAL LTD 2010-06-09 CN disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
CN-101302195-A Novel synthetic method of 7-hydroxy-3,4-dihydroquinolines HANGZHOU GREAT FOREST BIOMEDIC (CN) 2008-11-12 CN disclosed
CN-101302195-A Novel synthetic method of 7-hydroxy-3,4-dihydroquinolines HANGZHOU GREAT FOREST BIOMEDIC (CN) 2008-11-12 CN disclosed
US-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CHEMAGIS LTD. (IL) 2006-04-13 US disclosed
US-5283336-A Method for preparation of 7-hydroxy-1,2,3,4-tetrahydroquinoline from 1,2,3,4-tetrahydroquinoline THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1994-02-01 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 (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-20060079690-A1 Processes for preparing 7-hydroxy-3,4-dihydro-2(1H)-quinolinone and the use in aripiprazole preparation thereof CYP2A7, CYP3A7, CYP3A5 NLRP3 2189/4885ALDH1A1 93/4885CYP1A2 12/4885
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 NLRP3 1940/4885ALDH1A1 643/4885CYP1A2 61/4885

“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.