Sugi Predict

Sugi Predict / Compounds / SCHEMBL658481

SCHEMBL658481

SCHEMBL658481

O=C(/C=C/c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.86
▸ MAPT P10636 6/20 0.75
▸ MAOB P27338 5/20 0.75
▸ BCHE P06276 3/20 0.75
▸ LMNA P02545 2/20 0.75
▸ PLIN1 O60240 1/20 0.75
▸ TNFRSF1A P19438 1/20 0.75
▸ ACHE P22303 1/20 0.75
▸ RECQL P46063 1/20 0.75
▸ PLIN5 Q00G26 1/20 0.75
▸ ABHD5 Q8WTS1 1/20 0.75
▸ ESR1 P03372 1/20 0.72
▸ ESR2 Q92731 1/20 0.72
▸ HDAC3 O15379 1/20 0.72
▸ HDAC4 P56524 1/20 0.72
▸ HDAC1 Q13547 1/20 0.72
▸ HDAC7 Q8WUI4 1/20 0.72
▸ HDAC2 Q92769 1/20 0.72
▸ HDAC10 Q969S8 1/20 0.72
▸ HDAC11 Q96DB2 1/20 0.72

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
SCHEMBL658482 1.00 CYP1B1 (0.86) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL5873125 1.00 CYP1B1 (0.86) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL7072825 0.95 CYP1B1 (0.78) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL656491 0.93 CYP1B1 (1.00) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL11594062 0.93 CYP1B1 (1.00) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL656492 0.93 CYP1B1 (1.00) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL1659832 0.90 ESR1 (0.86) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL1659833 0.90 ESR1 (0.86) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL9915665 0.90 CYP1B1 (0.91) CYP1B1MAPTMAOBBCHELMNA
SCHEMBL8431772 0.90 CYP1B1 (0.91) CYP1B1MAPTMAOBBCHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214253-A Pyridoimidazole derivative and preparation method and application thereof 广东工业大学 2021-08-06 — — CN claimed
CN-112979649-A Pyridoimidazole derivative and preparation method and application thereof 广东工业大学 2021-06-18 — — CN claimed
CN-104030984-B A kind of preparation method of pyrazole derivatives 甘肃农业大学 2016-07-13 — — CN claimed
US-20110230407-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN DEMYELINATING DISEASES AND CENTRAL NERVOUS SYSTEM TRAUMA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-22 — — US claimed
US-12534742-B2 Compound for regulating gene editing efficiency and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2026-01-27 — — US disclosed
CN-114456086-B Synthesis method of beta-cyano ketone 哈尔滨理工大学 2024-10-01 — — CN disclosed
CN-113457736-B Application of chitosan/cellulose composite microsphere immobilized copper in catalyzing silicon addition reaction of alpha, beta-unsaturated carbonyl compound 湖北工程学院 2023-09-15 — — CN disclosed
EP-2810198-B1 ANTI-INVASIVE COMPOUNDS UNIV GENT (BE) 2023-07-12 — — EP disclosed
US-11661407-B2 Process for the preparation of pyrylium salts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2023-05-30 — — US disclosed
CN-114805044-A Novel method for synthesizing dibromo compound 兰州大学 2022-07-29 — — CN disclosed
CN-113214253-B Pyridoimidazole derivative and preparation method and application thereof 广东工业大学 2022-07-12 — — CN disclosed
CN-114456086-A Synthesis method of beta-cyano ketone 哈尔滨理工大学 2022-05-10 — — CN disclosed
US-7220732-B2 Compounds useful as photodynamic therapeutic agents GALLAGHER, WILLIAM (IE) 2007-05-22 — — US disclosed
US-7220732-B2 Compounds useful as photodynamic therapeutic agents GALLAGHER, WILLIAM (IE) 2007-05-22 — — US disclosed
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 — — US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 — — EP disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 — — WO disclosed
EP-0262672-B1 NON-LINEAR OPTICAL ARTICLE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-11-27 — — EP disclosed
US-4892681-A BENZALACETOPHENONE DERIVATIVE, RADIATION TRANSPARENT NIPPON OIL AND FATS CO., LTD. (JP) 1990-01-09 — — US disclosed
EP-0262672-A1 Non-linear optical article NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-04-06 — — 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 (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-20110230407-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN DEMYELINATING DISEASES AND CENTRAL NERVOUS SYSTEM TRAUMA HGF, HGFAC, HDGF CYP1B1 4829/4885MAPT 1281/4885MAOB 4296/4885
US-12534742-B2 Compound for regulating gene editing efficiency and application thereof ERG, APOBEC3A, APOBEC3C CYP1B1 107/4885MAPT 4861/4885MAOB 744/4885
US-11661407-B2 Process for the preparation of pyrylium salts SF3B5, IPO5, CYP4F11 CYP1B1 139/4885MAPT 2455/4885MAOB 2613/4885
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 CYP1B1 555/4885MAPT 3149/4885MAOB 2467/4885

“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.