SCHEMBL57158

SCHEMBL57158

Oc1ccccc1-n1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 1.00
CYP3A4 P08684 6/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2D6 P10635 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
GAA P10253 1/20 0.53
ENPP2 Q13822 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
TSHR P16473 2/20 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
SCHEMBL29523312 1.00 IDO1 (1.00) IDO1CYP3A4CYP1A2CYP2D6MEN1
Hydrochloric Acid SCHEMBL30549502 0.98 IDO1 (0.96) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL16382293 0.85 IDO1 (0.73) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL31408101 0.85 IDO1 (0.73) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL28287055 0.79 IDO1 (0.66) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL8469809 0.79 IDO1 (0.66) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL28493083 0.78 IDO1 (0.63) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL28484926 0.78 IDO1 (0.63) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL30096307 0.77 IDO1 (0.70) IDO1CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL28912991 0.77 IDO1 (0.70) IDO1CYP3A4CYP1A2CYP2D6MEN1

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-114832858-A Preparation process of ILs @ CTF composite material and catalytic performance of carbon dioxide cycloaddition reaction 天津理工大学 2022-08-02 CN claimed
CN-111100490-A Preparation method of environment-friendly coating capable of generating negative oxygen ions 金华联创塑粉科技有限公司 2020-05-05 CN claimed
CN-111100491-A Preparation method of negative oxygen ion environment-friendly coating 金华联创塑粉科技有限公司 2020-05-05 CN claimed
CN-109581814-A Low temperature curing type Photosensitve resin composition 互耐普勒斯有限公司 2019-04-05 CN claimed
CN-101960953-A Photosensitive color change plant and cultivation method thereof LING FANG 2011-02-02 CN claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-12227495-B2 Herbicidal compounds SYNGENTA CROP PROTECTION AG (CH) 2025-02-18 US disclosed
CN-112996780-B Herbicidal compounds 先正达农作物保护股份公司 2024-11-08 CN disclosed
CN-111925846-B High-efficiency thioether and thiophene removing solvent and application thereof 中国石油集团工程股份有限公司 2024-10-01 CN disclosed
CN-116419816-B Soldering flux and soldering paste 千住金属工业株式会社 2024-04-30 CN disclosed
CN-116529021-B Soldering flux and soldering paste 千住金属工业株式会社 2024-03-08 CN disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-5356921-A Exhibit 5-lipoxygenase and thromboxane synthase inhibiting activities; administering for disorders attributable to the action of leukotrienes and thromboxane A2 GRUENENTHAL GMBH (DE) 1994-10-18 US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed
EP-0557787-A1 Imidazolylphenol derivatives, medicaments containing them and a process for the preparation of these compounds and medicaments Grünenthal GmbH (DE) 1993-09-01 EP disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed
US-4006243-A FUNGICIDE, BACTERICIDE, YEAST SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-12227495-B2 Herbicidal compounds DDT, NQO2, NHERF1 IDO1 888/4885CYP3A4 1201/4885CYP1A2 112/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 IDO1 4006/4885CYP3A4 3831/4885CYP1A2 2380/4885

“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.