SCHEMBL131810

SCHEMBL131810

O=[C]OC(Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
TRPA1 O75762 1/20 0.41
CYP2D6 P10635 2/20 0.34
SRC P12931 1/20 0.34
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
DPP4 P27487 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2657967 0.77 CYP2D6 (0.34) CES2CES1TRPA1CYP2D6SRC
SCHEMBL857 0.76 IDO1 (0.39) CYP2D6SRCCYP1A2PKMSMN1; SMN2
SCHEMBL119992 0.73 TSHR (0.44) CES2CES1TRPA1CYP2D6SRC
SCHEMBL16970628 0.73 HCAR2 (0.43) LMNAKMT2AALDH1A1
SCHEMBL3936005 0.73 LMNA (0.43) CES2CES1CYP2D6SRCCYP1A2
SCHEMBL7454768 0.73 TSHR (0.44) CES2CES1TRPA1CYP2D6SRC
SCHEMBL96935 0.73 HCAR2 (0.43) LMNAKMT2AALDH1A1
SCHEMBL16970750 0.73 HCAR2 (0.43) LMNAKMT2AALDH1A1
SCHEMBL535087 0.73 DPP4 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL2567616 0.72 CYP2D6 (0.32) CYP2D6SRCCYP1A2PKMSMN1; SMN2

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 1103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108147972-A A kind of preparation method of Wei Patawei intermediates and the like 成都西岭源药业有限公司 2018-06-12 CN claimed
CN-107810189-A Method for preparing nitrogen mustard derivatives 肿瘤多肽股份公司 2018-03-16 CN claimed
WO-2018022936-A1 CLOSTRIDIUM DIFFICILE TARGETING MOIETIES AND CONSTRUCTS COMPRISING SAID MOIETIES C3 JIAN, LLC (US) 2018-02-01 WO claimed
CN-103827082-B A kind of novel process preparing Peramivir and intermediate thereof PHARMA RESOURCES (SHANGHAI) Co.,Ltd. (CN) 2016-01-20 CN claimed
CN-103827082-A A novel process for the preparation of peramivir and intermediates thereof PHARMARESOURCES SHANGHAI CO LTD 2014-05-28 CN claimed
EP-2485750-A1 PEPTIDE-BASED PEROXIDASE INHIBITORS AND METHODS OF USING SAME The MCW Research Foundation, Inc. (US) 2012-08-15 EP claimed
CN-102443014-A 3-chloro-cephalosporin derivative, synthetic method thereof and application thereof in preparation of cefaclor SHANGHAI RIGHT HAND MEDICAL TECHNOLOGY DEV CO LTD 2012-05-09 CN claimed
WO-2011044096-A1 PEPTIDE-BASED PEROXIDASE INHIBITORS AND METHODS OF USING SAME MCW RESEARCH FOUNDATION, INC. (US) 2011-04-14 WO claimed
JP-2007512228-A 2007-05-17 JP claimed
EP-1660112-A2 ORALLY ADMINISTERED SMALL PEPTIDES SYNERGIZE STATIN ACTIVITY The Regents of the University of California (US) 2006-05-31 EP claimed
CN-1249024-C Intermediate for synthesis of benzimidazole compound and process for producing the same SANKYO CO (JP) 2006-04-05 CN claimed
CN-1611489-A Intermediates for the synthesis of benzimidazole compounds and process for preparation thereof SANKYO CO (JP) 2005-05-04 CN claimed
WO-2005016280-A2 ORALLY ADMINISTERED SMALL PEPTIDES SYNERGIZE STATIN ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO claimed
WO-2003068806-A1 SOLID PHASE PEPTIDE SYNTHESIS ON SILICA JOHNSON MATTHEY PLC (GB) 2003-08-21 WO claimed
CN-1371360-A Intermediate for synthesis of benzimidazole compound and process for producing the same SANKYO CO (JP) 2002-09-25 CN claimed
EP-1000012-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
WO-1999006351-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
US-4038222-A OPIATE AGONIST HOFFMAN-LA ROCHE INC. (US) 1977-07-26 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 (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-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A CES2 2460/4885CES1 2420/4885TRPA1 4616/4885

“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.