Sugi Predict

Sugi Predict / Compounds / SCHEMBL12133

SCHEMBL12133

SCHEMBL12133

CC(=O)Nc1cccc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 1.00
▸ ALDH1A1 P00352 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ KMT2A Q03164 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ IDO1 P14902 1/20 0.60
▸ APOBEC3G Q9HC16 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ NR4A1 P22736 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ KCNK3 O14649 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ KCNK9 Q9NPC2 1/20 0.59
▸ NAPRT Q6XQN6 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL30703669 1.00 HSD17B10 (1.00) HSD17B10ALDH1A1CYP1A2KMT2AMEN1
Metacetamol SCHEMBL9789928 0.91 HSD17B10 (0.83) HSD17B10ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL13680541 0.89 HSD17B10 (0.79) HSD17B10ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL1901172 0.87 ALDH1A1 (0.76) HSD17B10ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL4416620 0.85 SMN1; SMN2 (0.77) HSD17B10ALDH1A1KMT2AMEN1RXFP1
SCHEMBL21567990 0.85 HSD17B10 (0.74) HSD17B10ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL29703055 0.85 SMN1; SMN2 (0.77) HSD17B10ALDH1A1KMT2AMEN1RXFP1
SCHEMBL692386 0.85 HSD17B10 (0.74) HSD17B10ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL30762995 0.85 HSD17B10 (0.74) HSD17B10ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL14384855 0.84 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2KMT2AMEN1

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 1288 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117106189-A Metal organic framework artificial hydrolase and preparation method and application thereof 华南理工大学 2023-11-24 — — CN claimed
CN-117088785-A Preparation method of 4-amino-2-methylbenzoic acid 江西金丰药业有限公司 2023-11-21 — — CN claimed
CN-115125536-A Liquid composition and etching method using the same 三菱瓦斯化学株式会社 2022-09-30 — — CN claimed
CN-114308124-A Efficient catalyst for nitrogen fixation and preparation method and application thereof 杭州师范大学 2022-04-12 — — CN claimed
CN-110265608-B Nano coating diaphragm for high-voltage-resistant lithium ion battery and preparation method thereof 新乡市中科科技有限公司 2021-10-01 — — CN claimed
CN-105648440-B Liquid composition and the engraving method for using it 三菱瓦斯化学株式会社 2019-10-25 — — CN claimed
US-10017479-B2 Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV ROSOCHA GREGORY (CA) 2018-07-10 — — US claimed
CN-107530303-A RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS AND USES ADT制药有限责任公司 2018-01-02 — — CN claimed
CN-105648439-A liquid composition and etching method using the same 三菱瓦斯化学株式会社 2016-06-08 — — CN claimed
CN-105648440-A A liquid composition and an etching process using same 三菱瓦斯化学株式会社 2016-06-08 — — CN claimed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 — — US claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 — — EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 — — EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 — — US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 — — US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 — — WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 — — WO claimed
EP-0593251-A1 Process for the catalytic debromination of halogenated monocyclic aromatic compounds HOECHST CELANESE CORPORATION (US) 1994-04-20 — — EP claimed
EP-0053890-B1 PRODUCTION OF ARYL ACYLAMIDASES The Public Health Laboratory Service Board (GB) 1985-02-13 — — EP claimed
US-4430433-A CULTURES, PSEUDOMONAS, HYDROLYSIS OF N-ACETYL-4-HYDROXYANILINE TO 4-HYDROXYANILINE PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1984-02-07 — — US 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 (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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HSD17B10 3460/4885ALDH1A1 610/4885CYP1A2 274/4885
US-10017479-B2 Process to make non nucleosidal reverse transcriptase inhibitors (NNRTI) for the treatment of HIV DNTT, NNMT, PNP HSD17B10 2226/4885ALDH1A1 1878/4885CYP1A2 945/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HSD17B10 3533/4885ALDH1A1 734/4885CYP1A2 289/4885

“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.