SCHEMBL2004665

SCHEMBL2004665

NC(Cl)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
ATM Q13315 3/20 0.50
GAA P10253 2/20 0.50
HSP90AA1 P07900 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL27596223 0.98 TDP1 (0.50) TDP1L3MBTL1CES2CES1ATM
SCHEMBL9450434 0.80 TDP1 (0.56) TDP1L3MBTL1CES2CES1ATM
SCHEMBL3751620 0.80 TDP1 (0.56) TDP1L3MBTL1CES2CES1ATM
SCHEMBL2238176 0.80 TDP1 (0.56) TDP1L3MBTL1CES2CES1ATM
SCHEMBL24188 0.80 TDP1 (0.56) TDP1L3MBTL1CES2CES1ATM
SCHEMBL2358014 0.80 ATM (0.64) TDP1L3MBTL1CES2CES1ATM
SCHEMBL10964872 0.79 CES2 (0.52) L3MBTL1CES2CES1ATMGAA
Water SCHEMBL27597000 0.78 TDP1 (0.54) TDP1L3MBTL1CES2CES1ATM
SCHEMBL11287856 0.78 TDP1 (0.54) TDP1L3MBTL1CES2CES1ATM
SCHEMBL27548850 0.78 TDP1 (0.54) TDP1L3MBTL1CES2CES1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106966914-B A kind of preparation method of the chloro- 2- aminoacetophenone of the bromo- 4- of 5- 无锡捷化医药科技有限公司 2019-02-22 CN claimed
CN-106966914-A A kind of preparation method of the aminoacetophenone of 5 bromine, 4 chlorine 2 无锡捷化医药科技有限公司 2017-07-21 CN claimed
CN-106966914-B A kind of preparation method of the chloro- 2- aminoacetophenone of the bromo- 4- of 5- 无锡捷化医药科技有限公司 2019-02-22 CN disclosed
CN-106966914-B A kind of preparation method of the chloro- 2- aminoacetophenone of the bromo- 4- of 5- 无锡捷化医药科技有限公司 2019-02-22 CN disclosed
CN-106966914-B A kind of preparation method of the chloro- 2- aminoacetophenone of the bromo- 4- of 5- 无锡捷化医药科技有限公司 2019-02-22 CN disclosed
CN-106966914-A A kind of preparation method of the aminoacetophenone of 5 bromine, 4 chlorine 2 无锡捷化医药科技有限公司 2017-07-21 CN disclosed
CN-102924359-B Method for synthesizing substituted indole compounds through one-pot method YANTAI INST COASTAL ZONE RES CAS 2015-03-11 CN disclosed
US-8721942-B2 Composite membrane including coating of polyalkylene oxide and acetophenone compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-05-13 US disclosed
CN-102924359-A Method for synthesizing substituted indole compounds through one-pot method YANTAI INST COASTAL ZONE RES CAS 2013-02-13 CN disclosed
WO-2011112351-A1 POLYAMIDE MEMBRANE WITH A COATING COMPRISING POLYALKYLENE OXIDE AND ACETOPHENONE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-15 WO disclosed
US-20110220569-A1 COMPOSITE MEMBRANE INCLUDING COATING OF POLYALKYLENE OXIDE AND ACETOPHENONE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC 2011-09-15 US disclosed
WO-2009140467-A1 OXOBENZINDOLIZINOQUINOLINES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2009-11-19 WO disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
EP-1620088-A4 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORP (US) 2007-08-29 EP disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 US disclosed
EP-1620088-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004098498-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-18 WO disclosed
CN-1046731-C Pyrrolo [2,3-d ] pyrimidines and their use NOVARTIS AG (CH) 1999-11-24 CN disclosed
US-5969184-A INTERMEDIATES FOR COMPOUNDS WHICH CONTROL PRODUCTION OF EXCESSIVE INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 US disclosed
CN-1164234-A Pyrrolo [2, 3-d ] pyrimidines and their use NOVARTIS AG (CH) 1997-11-05 CN 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 (1 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-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT TDP1 2712/4885L3MBTL1 3646/4885CES2 1498/4885

“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.