Sugi Predict

Sugi Predict / Compounds / SCHEMBL2011005

SCHEMBL2011005

SCHEMBL2011005

Cc1cc(Cl)cc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ERN1 O75460 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SRC P12931 1/20 0.34
▸ RAPGEF4 Q8WZA2 2/20 0.33
▸ TYR P14679 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PIM1 P11309 1/20 0.32

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
SCHEMBL29955975 1.00 CYP2A6 (0.42) CYP2A6HSD17B10ERN1ALDH1A1KDM4E
SCHEMBL280640 0.82 CYP2A6 (0.52) CYP2A6ERN1ALDH1A1SRCTYR
SCHEMBL42392 0.82 HSD17B10 (0.52) HSD17B10ERN1ALDH1A1AHR
SCHEMBL3129625 0.82 CYP2A6 (0.52) CYP2A6ERN1ALDH1A1KDM4ESRC
SCHEMBL3477069 0.82 HSD17B10 (0.52) CYP2A6HSD17B10ERN1ALDH1A1TYR
SCHEMBL8084074 0.80 IDH1 (0.40) CYP2A6HSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28632193 0.79 HSD17B10 (0.50) HSD17B10ERN1ALDH1A1AHR
Hydrochloric Acid SCHEMBL28065211 0.79 CYP2A6 (0.50) CYP2A6ERN1ALDH1A1SRCTYR
SCHEMBL16957748 0.78 AHR (0.34) RAPGEF4AHRTYMP
SCHEMBL16957828 0.76 RAPGEF4 (0.33) ALDH1A1MEN1MAPTKMT2ARAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 — — US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 — — US claimed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 — — US claimed
EP-3749365-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION Ohio State Innovation Foundation (US) 2020-12-16 — — EP claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 — — US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 — — CN claimed
WO-2019148194-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION (US) 2019-08-01 — — WO claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 — — US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 — — EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 — — WO claimed
EP-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
US-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA INC (US) 2025-10-30 — — US disclosed
EP-4637735-A1 DIMETHOXYPHENYL HETEROAROMATIC ALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2025-10-29 — — EP disclosed
US-20250282712-A1 DIMETHOXYPHENYLALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS ATAI THERAPEUTICS INC (US) 2025-09-11 — — US disclosed
US-12351537-B2 Dimethoxyphenylalkylamine activators of serotonin receptors ATAI THERAPEUTICS, INC. (US) 2025-07-08 — — US disclosed
US-4950673-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1990-08-21 — — US disclosed
US-4816469-A 5-Amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1989-03-28 — — US disclosed
US-4721791-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1988-01-26 — — US disclosed
US-4585866-A Treatment of migraine with substituted tropyl benzoate derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-29 — — US disclosed
US-4563465-A ANTISEROTONINE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1986-01-07 — — 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 (7 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-12351537-B2 Dimethoxyphenylalkylamine activators of serotonin receptors HTR1A, HTR7, HTR4 CYP2A6 596/4885HSD17B10 1919/4885ERN1 2362/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 CYP2A6 3589/4885HSD17B10 3608/4885ERN1 1946/4885
US-20250282712-A1 DIMETHOXYPHENYLALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS HTR1A, HTR7, HTR4 CYP2A6 596/4885HSD17B10 1919/4885ERN1 2362/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 CYP2A6 3581/4885HSD17B10 3605/4885ERN1 1903/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 CYP2A6 3581/4885HSD17B10 3605/4885ERN1 1903/4885
US-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 CYP2A6 3354/4885HSD17B10 1954/4885ERN1 4246/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC CYP2A6 4487/4885HSD17B10 4287/4885ERN1 1340/4885

“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.