SCHEMBL4035177

SCHEMBL4035177

CN(C)CCCOCc1cc2c(s1)-c1cccc(Cl)c1Oc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
MAOB P27338 2/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTR1B P28222 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1B Q00975 1/20 0.30

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
SCHEMBL4040257 0.94 AHR (0.33) HRH3MAOBBCHEMAOAACHE
SCHEMBL4035884 0.87 CACNA1H (0.36) HRH3MAOBBCHEMAOAACHE
Hydrochloric Acid SCHEMBL4038349 0.86 CACNA1H (0.35) HRH3MAOBBCHEMAOAACHE
SCHEMBL4037140 0.84 MAPK1 (0.36) HRH3MAOAACHEKDM4E
SCHEMBL5414669 0.84 HTR1B (0.38) HRH3KDM4EALDH1A1MAPTHTR1B
SCHEMBL5425097 0.81 CACNA1H (0.35) HRH3MAOBBCHEMAOAACHE
SCHEMBL5417751 0.81 SLC6A4 (0.32) MAOBBCHEMAOAACHE
SCHEMBL4043579 0.80 HDAC3 (0.41) HRH3MAOBBCHEMAOAACHE
SCHEMBL4046594 0.80 CYP1A2 (0.35) MAOBBCHEMAOAACHECACNA1H
SCHEMBL4042515 0.80 ALDH1A1 (0.37) MAOBBCHEMAOAACHEKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US claimed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US claimed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 US claimed
JP-2009102513-A POLYMER, COMPOSITION, CURED MATERIAL, AND OPTICAL RECORDING MEDIUM MITSUBISHI CHEMICALS CORP 2009-05-14 JP disclosed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US disclosed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US disclosed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A HRH3 2531/4885MAOB 1706/4885BCHE 433/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A HRH3 2562/4885MAOB 1752/4885BCHE 392/4885

“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.