SCHEMBL806445

SCHEMBL806445

Cc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.68
CYP1A2 P05177 4/20 0.68
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
NCK1 P16333 1/20 0.40
BACE1 P56817 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
F11 P03951 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL27919193 0.97 CYP2A6 (0.65) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1
SCHEMBL3840695 0.92 CYP2A6 (0.70) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1
Ammonia Solution, Strong SCHEMBL27919192 0.90 CYP2A6 (0.67) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1
SCHEMBL2723074 0.88 CYP2A6 (0.52) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1
SCHEMBL29644361 0.83 CYP2A6 (0.77) CYP2A6TDP1CYP3A4ALDH1A1LMNA
SCHEMBL29389285 0.83 CYP1A2 (1.00) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1
SCHEMBL308248 0.83 CYP1A2 (1.00) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1
SCHEMBL865990 0.83 CYP2A6 (0.77) CYP2A6TDP1CYP3A4ALDH1A1LMNA
SCHEMBL10882769 0.80 CYP1A2 (0.93) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1
SCHEMBL10882775 0.80 CYP1A2 (0.93) CYP2A6CYP1A2TDP1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
US-20230047589-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2023-02-16 US disclosed
US-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2023-02-09 US disclosed
WO-2023284860-A1 3-PHENYLPROPIONIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-01-19 WO disclosed
EP-4119165-A1 NOVEL 3,5-DIAMINOBENZOIC ACID COMPOUND, AND PIN1 INHIBITOR AND THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES USING SAME Hiroshima University (JP) 2023-01-18 EP disclosed
US-11318133-B2 Modulators of integrated stress response pathway Praxis Biotech LLC (US) 2022-05-03 US disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed
EP-0115679-B1 CHEMICAL PROCESS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-14 EP disclosed
US-4611062-A Process for resolving certain spiro compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-09 US disclosed
US-4567278-A Process for racemizing certain spiro compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-28 US disclosed
US-4523021-A ANTIDIABETIC AND ANTIGLACTOSEMIA AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-11 US disclosed
EP-0065407-B1 PHARMACEUTICAL SPIRO-SUCCINIMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-13 EP disclosed
US-4478847-A ALDOSE REDUCTASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-23 US disclosed
EP-0115679-A1 Chemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-15 EP disclosed
EP-0065407-A2 Pharmaceutical spiro-succinimide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP 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 (6 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-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, ATF1, DDIT3 CYP2A6 4132/4885CYP1A2 4650/4885TDP1 1502/4885
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same PIN1, DUSP15, FKBP1A CYP2A6 617/4885CYP1A2 1141/4885TDP1 3878/4885
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME CYC1, CRY1, C1S CYP2A6 177/4885CYP1A2 45/4885TDP1 3909/4885
US-11318133-B2 Modulators of integrated stress response pathway ATF4, ATF1, DDIT3 CYP2A6 4132/4885CYP1A2 4650/4885TDP1 1502/4885
US-20230047589-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 CYP2A6 4003/4885CYP1A2 4440/4885TDP1 1045/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE CYP2A6 3671/4885CYP1A2 4049/4885TDP1 3987/4885

“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.