Sugi Predict

Sugi Predict / Compounds / SCHEMBL181067

SCHEMBL181067

SCHEMBL181067

COC(=O)c1ccccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CFTR P13569 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 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
SCHEMBL70467 0.84 TSHR (0.59) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL14050225 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL646271 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL28398689 0.84 POLB (0.47) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL30506574 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL2383149 0.84 CA12 (0.48) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL380146 0.82 TSHR (0.57) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL4825804 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL22579325 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL1708879 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 — — CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 — — CN claimed
CN-116730842-A Spiro [ bicyclo [4.2.1] nonane-tetralone ] compound and preparation method thereof 五邑大学 2023-09-12 — — CN claimed
CN-116715584-A Tetrahydronaphthalene bicyclo [4.3.1] decane compound and preparation method thereof 五邑大学 2023-09-08 — — CN claimed
CN-113416314-B Copper frame material and preparation method and application thereof 江汉大学 2022-04-26 — — CN claimed
CN-113416314-A Copper frame material and preparation method and application thereof 江汉大学 2021-09-21 — — CN claimed
CN-107353176-A A kind of method, the deuterated methyl compound of the aromatic series being prepared and its application that cyano group is catalytically converted into deuterated methyl 中国科学院广州生物医药与健康研究院 2017-11-17 — — CN claimed
CN-101535284-B Processes for the preparation of 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS INC 2014-12-10 — — CN claimed
CN-103013170-A Preparation method of isoindoline pigment CINIC CHEMICALS SHANGHAI CO LTD 2013-04-03 — — CN claimed
CN-103013171-A Process for synthesizing isoindolinone pigment under mild conditions CINIC CHEMICALS SHANGHAI CO LTD 2013-04-03 — — CN claimed
US-8367841-B2 Processes for the preparation of 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS, INC. (US) 2013-02-05 — — US claimed
EP-2059513-B1 Process for the preparation of 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS INC (US) 2013-01-23 — — EP claimed
US-7678922-B2 Processes for the preparation of 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS, INC. (US) 2010-03-16 — — US claimed
US-20100063297-A1 PROCESSES FOR THE PREPARATION OF 1,2,4-OXADIAZOLE BENZOIC ACIDS PTC THERAPEUTICS, INC. 2010-03-11 — — US claimed
CN-101535284-A Processes for the preparation of 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS INC (US) 2009-09-16 — — CN claimed
EP-2059513-A1 PROCESSES FOR THE PREPARATION OF 1,2,4-OXADIAZOLE BENZOIC ACIDS PTC Therapeutics, Inc. (US) 2009-05-20 — — EP claimed
US-20080139818-A1 Processes for the preparation of 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS, INC. 2008-06-12 — — US claimed
WO-2008030570-A1 PROCESSES FOR THE PREPARATION OF 1,2,4-OXADIAZOLE BENZOIC ACIDS PTC THERAPEUTICS, INC. (US) 2008-03-13 — — WO claimed
US-6433211-B1 SELECTIVITY HYDRATION OF AROMATIC DINITRILES SHOWA DENKO KABUSHIKI KAISHA (JP) 2002-08-13 — — US claimed
EP-0989115-A2 Process for producing cyanobenzoic acid derivatives Showa Denko Kabushiki Kaisha (JP) 2000-03-29 — — EP claimed

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-20080139818-A1 Processes for the preparation of 1,2,4-oxadiazole benzoic acids UPF1, ABAT, HOGA1 ALDH1A1 543/4885KDM4E 2780/4885HSD17B10 1055/4885
US-20100063297-A1 PROCESSES FOR THE PREPARATION OF 1,2,4-OXADIAZOLE BENZOIC ACIDS UPF1, ABAT, HOGA1 ALDH1A1 543/4885KDM4E 2780/4885HSD17B10 1055/4885

“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.