SCHEMBL708391

SCHEMBL708391

COc1ccc(C#N)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.51
ESRRA P11474 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM1A O60341 1/20 0.43
ALK Q9UM73 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
SLC6A4 P31645 1/20 0.42
TUBB1 Q9H4B7 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
FFAR1 O14842 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIM1 P11309 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL30118209 1.00 AR (0.51) ARESRRAALDH1A1KDM1AALK
SCHEMBL364484 0.84 AR (0.51) ARESRRAALDH1A1KDM1AALK
SCHEMBL30376409 0.84 AR (0.51) ARESRRAALDH1A1KDM1AALK
SCHEMBL31739238 0.81 CA2 (0.49) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL365516 0.81 SLC6A4 (0.64) ARESRRASLC6A4TTR
SCHEMBL509522 0.81 AR (0.66) ARALDH1A1KDM1AKDM4EUSP2
SCHEMBL29490258 0.81 AR (0.66) ARALDH1A1KDM1AKDM4EUSP2
SCHEMBL28833261 0.80 FFAR1 (0.40) ARESRRAALDH1A1SLC6A4MEN1
SCHEMBL29886939 0.80 FFAR1 (0.40) ARESRRAALDH1A1SLC6A4MEN1
SCHEMBL16962038 0.80 ALDH1A1 (0.47) ALDH1A1TUBB1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-06 US claimed
US-6759404-B2 INHIBITING GAMMA-SECRETASE ACTIVITY; TREATING DISEASES ASSOCIATED WITH BETA-AMYLOID PRODUCTION, SUCH AS ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US claimed
US-20250386661-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2025-12-18 US disclosed
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2025-03-20 US disclosed
CN-119462663-A Pyrrolidone-containing compounds 正大天晴药业集团股份有限公司 2025-02-18 CN disclosed
US-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors BEIGENE, LTD. (KY) 2025-01-23 US disclosed
EP-4065566-B1 TRPM8 MODULATORS GIVAUDAN SA (CH) 2025-01-01 EP disclosed
EP-4463456-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BeiGene, Ltd. (KY) 2024-11-20 EP disclosed
EP-4025573-B9 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2024-11-20 EP disclosed
CN-114761385-B TRPM8 modulators 奇华顿股份有限公司 2024-10-29 CN disclosed
CN-118724712-A Preparation method of organic bromine-containing compound 郑州大学 2024-10-01 CN disclosed
US-6071928-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME, LTD. (GB) 2000-06-06 US disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0912579-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-05-06 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed
WO-1998001450-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1998-01-15 WO disclosed
US-4853383-A β-blocking substituted imidazoles MERCK & CO., INC. (US) 1989-08-01 US disclosed
US-4642311-A β-adrenergic blocking imidazolylphenoxy propanolamines MERCK & CO., INC. (US) 1987-02-10 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 (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-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES ACE2, ACE, TMPRSS2 AR 2358/4885ESRRA 3541/4885ALDH1A1 3064/4885
US-20080275024-A1 CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION APP, BACE1, APH1A AR 4556/4885ESRRA 4338/4885ALDH1A1 2960/4885
US-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors POLQ, POLK, POLI AR 2659/4885ESRRA 2339/4885ALDH1A1 2479/4885

“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.