Sugi Predict

Sugi Predict / Compounds / SCHEMBL644301

SCHEMBL644301

SCHEMBL644301

O=Cc1c[nH]c2cccc(Br)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 1.00
▸ PIM1 P11309 3/20 0.57
▸ PIM3 Q86V86 3/20 0.57
▸ PIM2 Q9P1W9 2/20 0.57
▸ IMPDH2 P12268 1/20 0.52
▸ CLK1 P49759 2/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37

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
SCHEMBL29953853 1.00 CYP2A6 (1.00) CYP2A6PIM1PIM3PIM2IMPDH2
SCHEMBL29957539 0.85 CYP2A6 (0.74) CYP2A6PIM1PIM3PIM2IMPDH2
SCHEMBL29952428 0.82 CYP2A6 (0.70) CYP2A6PIM1PIM3PIM2IMPDH2
SCHEMBL248842 0.79 CYP2A6 (0.66) CYP2A6PIM1PIM3PIM2IMPDH2
SCHEMBL29408411 0.79 CYP2A6 (0.66) CYP2A6PIM1PIM3PIM2IMPDH2
SCHEMBL3558026 0.78 CYP2A6 (0.64) CYP2A6PIM1PIM3PIM2
SCHEMBL31448012 0.78 CYP2A6 (0.64) CYP2A6PIM1PIM3PIM2
SCHEMBL3558032 0.78 CYP2A6 (0.64) CYP2A6PIM1PIM3PIM2
SCHEMBL1092485 0.78 CYP2A6 (0.64) CYP2A6PIM1PIM3PIM2IMPDH2
SCHEMBL1337252 0.78 CYP2A6 (0.64) CYP2A6PIM1PIM3PIM2IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957266-B Total synthesis method of natural product auraticloav racemate 上海应用技术大学 2023-08-04 — — CN claimed
CN-114957266-A Total synthesis method of natural product aurantialcaine racemate 上海应用技术大学 2022-08-30 — — CN claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 — — CN claimed
CN-107935905-B Synthetic method of Indianens A 大理大学 2021-09-17 — — CN claimed
CN-110643032-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2020-01-03 — — CN claimed
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 — — CN claimed
CN-107935905-A The synthetic method of Indiacens A 大理大学 2018-04-20 — — CN claimed
CN-106967213-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2017-07-21 — — CN claimed
CN-1418872-A 1,4-pentadiene-3-ketone compound containing halogenoindyl, and method for preparing same and medicinal use thereof INST OF CHEMISTRY HE NAN PROVI (CN) 2003-05-21 — — CN claimed
US-20250304573-A1 LYSERGIC ACID DERIVATIVES AND METHODS UNIV FLORIDA STATE RES FOUND INC (US) 2025-10-02 — — US disclosed
CN-119857098-B Application of indole triazole derivative in preparation of drug-resistant candida albicans drug 云南中医药大学 2025-06-24 — — CN disclosed
CN-119857098-A Application of indole triazole derivative in preparation of drug-resistant candida albicans drug 云南中医药大学 2025-04-22 — — CN disclosed
CN-119731161-A Lysergic acid derivatives and methods 佛罗里达州立大学研究基金会有限公司 2025-03-28 — — CN disclosed
EP-4522601-A1 LYSERGIC ACID DERIVATIVES AND METHODS The Florida State University Research Foundation, Inc. (US) 2025-03-19 — — EP disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 — — US disclosed
CN-1418872-A 1,4-pentadiene-3-ketone compound containing halogenoindyl, and method for preparing same and medicinal use thereof INST OF CHEMISTRY HE NAN PROVI (CN) 2003-05-21 — — CN disclosed
CN-1387528-A Heterocyclic substd, pyrazolones CEPHALON INC (US) 2002-12-25 — — CN disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 — — US disclosed
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 — — EP disclosed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 — — WO 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 (2 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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK CYP2A6 226/4885PIM1 325/4885PIM3 269/4885
US-20250304573-A1 LYSERGIC ACID DERIVATIVES AND METHODS AADAT, HTR3A, HNMT CYP2A6 1554/4885PIM1 4788/4885PIM3 4607/4885

“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.