SCHEMBL5104501

SCHEMBL5104501

O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.72
ESR2 Q92731 2/20 0.72
POLB P06746 2/20 0.61
STAT3 P40763 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 1/20 0.49
PTPRC P08575 1/20 0.48
NR1H3 Q13133 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
SCN2A Q99250 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GFER P55789 1/20 0.47
PTGES O14684 1/20 0.46
HSPA1A P0DMV8 1/20 0.46
PABPC1 P11940 1/20 0.46

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
SCHEMBL19317172 0.90 ESR1 (0.69) ESR1ESR2POLBSTAT3NPSR1
SCHEMBL9566633 0.82 ESR1 (0.73) ESR1ESR2POLBSTAT3NPSR1
SCHEMBL8615277 0.81 ESR1 (1.00) ESR1ESR2POLBNPC1NR1H3
SCHEMBL18589041 0.81 ESR1 (0.68) ESR1ESR2NPC1NR1H3CA12
SCHEMBL9571698 0.81 ESR1 (0.71) ESR1ESR2POLBSTAT3NPSR1
SCHEMBL3619832 0.80 KMT2A (0.64) ESR1ESR2NR1H3CA12CA1
SCHEMBL30390220 0.80 KMT2A (0.64) ESR1ESR2NR1H3CA12CA1
N-Phenyl-Phthalimide SCHEMBL123618 0.80 KMT2A (0.68) ESR1NPSR1NR1H3CA12CA1
SCHEMBL19773976 0.80 KMT2A (0.68) ESR1NPSR1NR1H3CA12CA1
N-Phenyl-Phthalimide SCHEMBL29819622 0.80 KMT2A (0.68) ESR1NPSR1NR1H3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103497337-B A kind of preparation method of Polythioetherimide NINGBO INSTITUTE OF MATERIALS TECHNOLOGY & ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-18 CN claimed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4157823-A1 COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-04-05 EP disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO disclosed
US-10294255-B1 Multifunctional crosslinking agent, crosslinked polymer, and method of making same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2019-05-21 US disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
US-20170256718-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-09-07 US disclosed
US-20170256718-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-09-07 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
CN-103497337-B A kind of preparation method of Polythioetherimide NINGBO INSTITUTE OF MATERIALS TECHNOLOGY & ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-18 CN disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
CN-103319715-B Hydrolysis-resistanteasy-processable easy-processable polythioetherimide resin material and preparation method thereof NINGBO INSTITUTE OF MATERIALS TECHNOLOGY & ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-19 CN disclosed
CN-104311825-A Phenolphthalein type copolyimide and preparation method thereof NINGBO INST MATERIALS TECHNOLOGY & ENG CAS 2015-01-28 CN disclosed
US-7425650-B1 Synthesis of asymmetric tetracarboxylic acids and corresponding dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2008-09-16 US disclosed
US-6395907-B1 Preparation of polyaromatic-ethynyl thermal setting agents VIRGINIA COMMONWEALTH UNIVERSITY 2002-05-28 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B ESR1 453/4885ESR2 573/4885POLB 3231/4885
US-20170256718-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, YAP1, OR51E2 ESR1 113/4885ESR2 317/4885POLB 3816/4885
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 ESR1 3383/4885ESR2 3072/4885POLB 2236/4885
US-10294255-B1 Multifunctional crosslinking agent, crosslinked polymer, and method of making same PARN, PAICS, PAM ESR1 4181/4885ESR2 3767/4885POLB 1508/4885

“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.