SCHEMBL821838

SCHEMBL821838

O=C(O)c1cccc2cc(Br)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
CDC25B P30305 2/20 0.49
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN2D O15399 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
DHODH Q02127 1/20 0.47
HSD17B10 Q99714 2/20 0.46
GRIN1 Q05586 1/20 0.46
GPR35 Q9HC97 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 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
SCHEMBL1668812 0.85 NR4A1 (0.60) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL29792669 0.85 NR4A1 (0.60) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL6914788 0.84 NR4A1 (0.58) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL6913891 0.84 NR4A1 (0.58) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL6916016 0.84 NR4A1 (0.58) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL6916066 0.84 NR4A1 (0.58) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL6914847 0.84 NR4A1 (0.58) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL14937023 0.84 ALDH1A1 (0.61) PTPN1MEN1KMT2ARXFP1KDM4E
SCHEMBL21679499 0.84 MEN1 (0.49) PTPN1MEN1KMT2ARXFP1NR4A1
SCHEMBL6916021 0.84 NR4A1 (0.58) PTPN1MEN1KMT2ARXFP1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902010-B1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM SA (ES) 2011-11-30 EP claimed
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
CN-118878461-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-11-01 CN disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 EP disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 US disclosed
WO-2006108717-A2 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-19 WO disclosed
EP-0339887-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-10 EP disclosed
US-5132421-A 2-naphthyl-carbapenem intermediates MERCK & CO., INC. (US) 1992-07-21 US disclosed
US-5132422-A 2-naphthyl-carbapenem intermediates MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0466254-A1 2-naphthyl-carbapenems MERCK & CO. INC. (US) 1992-01-15 EP disclosed
US-5032587-A Antibiotics, carbapenicillins MERCK & CO., INC. (US) 1991-07-16 US disclosed
US-5006519-A 2-naphthyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
CN-1037527-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-11-29 CN disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 EP 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 (3 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 PTPN1 436/4885MEN1 1022/4885KMT2A 1628/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 PTPN1 370/4885MEN1 3035/4885KMT2A 1216/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 PTPN1 436/4885MEN1 1022/4885KMT2A 1628/4885

“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.