Sugi Predict

Sugi Predict / Compounds / SCHEMBL481230

SCHEMBL481230

SCHEMBL481230

COc1ccc(C=O)cc1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.67
▸ TSHR P16473 1/20 0.67
▸ FDPS P14324 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ AOX1 Q06278 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TTR P02766 1/20 0.53
▸ IMPDH2 P12268 1/20 0.51
▸ IMPDH1 P20839 1/20 0.51
▸ TRIM24 O15164 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALDH5A1 P51649 1/20 0.51
▸ ABAT P80404 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TRIM33 Q9UPN9 1/20 0.51
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL29953528 1.00 ALDH1A1 (0.67) ALDH1A1TSHRFDPSKDM4EAOX1
SCHEMBL286401 0.89 ALDH1A1 (0.61) ALDH1A1TSHRFDPSKDM4EAOX1
SCHEMBL31261976 0.89 ALDH1A1 (0.61) ALDH1A1TSHRFDPSKDM4EAOX1
SCHEMBL29965683 0.85 ESRRA (0.63) ALDH1A1TSHRFDPSAOX1TTR
SCHEMBL28889415 0.85 ESRRA (0.63) ALDH1A1TSHRFDPSAOX1TTR
SCHEMBL5607264 0.85 AR (0.53) ALDH1A1TSHRFDPSAOX1TTR
SCHEMBL6899726 0.85 ALDH1A1 (0.47) ALDH1A1TSHRFDPSKDM4EAOX1
SCHEMBL16319639 0.84 ALDH1A1 (0.51) ALDH1A1TSHRFDPSAOX1TTR
SCHEMBL2381821 0.83 ESRRA (0.64) ALDH1A1TSHRFDPSAOX1TTR
SCHEMBL29445723 0.82 XDH (0.54) ALDH1A1TSHRFDPSAOX1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391928-A1 COMPOSITIONS FOR THE TREATMENT OF FOOD AND CHEMICAL ADDICTION AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2024-11-28 — — US disclosed
CN-118994145-A PARP/PI3K alpha double-target inhibitor, and pharmaceutical composition and application thereof 贵州医科大学 2024-11-22 — — CN disclosed
EP-4404926-A1 COMPOSITIONS FOR THE TREATMENT OF FOOD AND CHEMICAL ADDICTION AND METHODS OF MAKING AND USING SAME Duke University (US) 2024-07-31 — — EP disclosed
CN-114828959-B 3- (5-methoxy-1-oxo-isoindolin-2-yl) piperidine-2, 6-dione derivative and application thereof 诺华股份有限公司 2024-04-02 — — CN disclosed
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 — — EP disclosed
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 — — EP disclosed
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 — — CN disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 — — EP disclosed
WO-2023048762-A1 COMPOSITIONS FOR THE TREATMENT OF FOOD AND CHEMICAL ADDICTION AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2023-03-30 — — WO disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 — — US disclosed
EP-1192127-B1 SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE AGOURON PHARMA (US) 2005-03-30 — — EP disclosed
US-20040082547-A1 Novel compounds that inhibit factor xa activity MORPHOCHEM (DE) 2004-04-29 — — US disclosed
EP-1370526-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2003-12-17 — — EP disclosed
WO-2002068390-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2002-09-06 — — WO disclosed
US-6369226-B1 ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. 2002-04-09 — — US disclosed
EP-1192127-A1 SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE Agouron Pharmaceuticals, Inc. (US) 2002-04-03 — — EP disclosed
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 — — EP disclosed
WO-2000078708-A1 SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE AGOURON PHARMACEUTICALS, INC. (US) 2000-12-28 — — WO disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 — — WO disclosed
WO-1997030985-A1 BENZOTHIOPHENES, AND FORMULATIONS AND METHODS, USING SAME ELI LILLY AND COMPANY (US) 1997-08-28 — — 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 (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-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 ALDH1A1 715/4885TSHR 4338/4885FDPS 2744/4885
US-20240391928-A1 COMPOSITIONS FOR THE TREATMENT OF FOOD AND CHEMICAL ADDICTION AND METHODS OF MAKING AND USING SAME PNMT, DBH, COMT ALDH1A1 646/4885TSHR 802/4885FDPS 2640/4885
US-20040082547-A1 Novel compounds that inhibit factor xa activity F11, TFPI, SERPINC1 ALDH1A1 1604/4885TSHR 2698/4885FDPS 978/4885

“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.