SCHEMBL508063

SCHEMBL508063

N#Cc1ccc(CCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
CYP2A6 P11509 2/20 0.54
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
GSK3B P49841 1/20 0.45
CYP19A1 P11511 1/20 0.44
DAO P14920 2/20 0.43
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL7275905 0.94 TSHR (0.58) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL80140 0.86 TSHR (0.55) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL1004267 0.85 LOXL2 (0.64) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL9666850 0.83 TSHR (0.61) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL6393589 0.83 TSHR (0.61) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL10569888 0.80 TSHR (0.68) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL9640908 0.80 TSHR (0.62) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL531 0.80 LOXL2 (0.58) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL9666965 0.80 KCNJ1 (0.44) LOXL2CYP2A6KCNJ1KCNH2TSHR
SCHEMBL9666970 0.80 KCNJ1 (0.44) LOXL2CYP2A6KCNJ1KCNH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101253160-A Improved process for the preparation of letrozole SICOR INC (US) 2008-08-27 CN claimed
CN-1049157-A The preparation method of cycloalkanylpyrrole SCHERING AG (DE) 1991-02-13 CN claimed
CN-118702604-B Sulfonium salt single-molecule resin type photoresist containing stilbene structure, and preparation method and application thereof 中国科学院理化技术研究所 2024-11-22 CN disclosed
CN-118702604-A Sulfonium salt single-molecule resin type photoresist containing stilbene structure, and preparation method and application thereof 中国科学院理化技术研究所 2024-09-27 CN disclosed
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
US-20230100186-A1 FENTANYL HAPTENS FOR THE PREPARATION OF A FENTANYL VACCINE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2023-03-30 US disclosed
CN-108463460-B Microbiocidal oxadiazole derivatives 先正达参股股份有限公司 2022-10-28 CN disclosed
US-11447481-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-09-20 US disclosed
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed
US-11259524-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-03-01 US disclosed
CN-108137570-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-01-28 CN disclosed
WO-1990005133-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-17 WO disclosed
EP-0364123-A1 Muscarinic receptor antagonists Pfizer Limited (GB) 1990-04-18 EP disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
EP-0195817-B1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1989-10-18 EP disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 US disclosed
US-4634698-A TOPICAL HYPOTENSIVES SCHERING CORPORATION (US) 1987-01-06 US disclosed
CN-85108623-A Preparation has the novel method of the heterocycleamide of medical active 1986-07-30 CN disclosed
US-4556655-A TREATMENT OF CARDIOVASCULAR DISORDERS AND GLAUCOMA SCHERING CORPORATION (US) 1985-12-03 US disclosed
EP-0052437-A1 Antibacterial compounds, processes for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-05-26 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-20230100186-A1 FENTANYL HAPTENS FOR THE PREPARATION OF A FENTANYL VACCINE OPRL1, OPRK1, CYP2F1 LOXL2 4590/4885CYP2A6 9/4885KCNJ1 2703/4885
US-11447481-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG2 LOXL2 276/4885CYP2A6 621/4885KCNJ1 3343/4885
US-11259524-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 LOXL2 278/4885CYP2A6 452/4885KCNJ1 3450/4885

“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.