SCHEMBL3124138

SCHEMBL3124138

Clc1cccc(CCBr)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.63
PNMT P11086 2/20 0.58
IDO1 P14902 3/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CYP2A13 Q16696 2/20 0.42
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.39
DBH P09172 1/20 0.39
P2RX7 Q99572 1/20 0.37

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
SCHEMBL30252677 1.00 TAAR1 (0.63) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL81786 0.87 TAAR1 (0.59) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL320795 0.81 TAAR1 (0.60) TAAR1PNMTIDO1TSHR
SCHEMBL490393 0.81 PNMT (0.62) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL29447950 0.81 TAAR1 (0.60) TAAR1PNMTIDO1TSHR
SCHEMBL25392754 0.80 TAAR1 (0.41) TAAR1PNMTIDO1ALDH1A1CYP1A2
SCHEMBL15863955 0.79 PNMT (0.60) TAAR1PNMTIDO1KDM4EALDH1A1
Benzene SCHEMBL28092155 0.79 TAAR1 (0.58) TAAR1PNMTIDO1TSHR
SCHEMBL8440317 0.79 TAAR1 (0.39) TAAR1PNMTCYP3A4
SCHEMBL30252554 0.78 TAAR1 (0.44) TAAR1PNMTIDO1ALDH1A1CYP1A2

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-115427410-B Amide or sulfonamide derivatives and application thereof 苏州恩华生物医药科技有限公司 2024-02-23 CN disclosed
CN-115427410-A Amide or sulfonamide derivative and application thereof 苏州恩华生物医药科技有限公司 2022-12-02 CN disclosed
US-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same QUANTUM GENOMICS (FR) 2021-12-07 US disclosed
WO-2021213353-A1 AMIDE OR SULFONAMIDE DERIVATIVE AND USE THEREOF 苏州恩华生物医药科技有限公司 (CN) 2021-10-28 WO disclosed
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Institut National de la Santé et de la Recherche Médicale (FR) 2021-10-07 US disclosed
CN-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed
CN-104395310-A Bicyclic substituted uracils and their use Bayer Pharma AG 2015-03-04 CN disclosed
CN-104039791-A [1,2,3] triazolo [4,5-D ] pyrimidine derivatives as cannabinoid receptor 2 agonists HOFFMANN LA ROCHE 2014-09-10 CN disclosed
CN-103930426-A [1, 2, 3] triazolo [4, 5 -d] pyrimidine derivatives as agonists of the cannabinoid receptor 2 HOFFMANN LA ROCHE 2014-07-16 CN disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO disclosed
US-4292453-A REACTION OF A HALO DERIVATIVE OF BETA-BROMOETHYLBENZENE WITH AQUEOUS ALKALI AND A QUATERNARY PHASE TRANSFER CATALYST MAKHTESHIM CHEMICAL WORKS LTD. (IL) 1981-09-29 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 (4 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-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same ANPEP, DNPEP, ENPEP TAAR1 4206/4885PNMT 2466/4885IDO1 303/4885
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 TAAR1 4673/4885PNMT 2057/4885IDO1 4505/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 TAAR1 4673/4885PNMT 2057/4885IDO1 4505/4885
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ANPEP, DNPEP, ENPEP TAAR1 4206/4885PNMT 2466/4885IDO1 303/4885

“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.