SCHEMBL4041467

SCHEMBL4041467

CN(C)CCCOCc1cc2c(s1)-c1ccc(Cl)cc1Sc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C19 P33261 4/20 0.50
MTOR P42345 2/20 0.50
TP53 P04637 2/20 0.50
NFKB1 P19838 2/20 0.50
MAPK1 P28482 2/20 0.50
THPO P40225 2/20 0.50
LMNA P02545 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GMNN O75496 2/20 0.49
PMP22 Q01453 2/20 0.49
TDP1 Q9NUW8 4/20 0.43
HTR1A P08908 4/20 0.43
DRD2 P14416 4/20 0.43
CHRM2 P08172 3/20 0.43
ADRA2A P08913 3/20 0.43
ADORA3 P0DMS8 3/20 0.43

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
SCHEMBL6335341 1.00 CYP3A4 (0.50) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
SCHEMBL4038832 0.94 CYP3A4 (0.52) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
SCHEMBL6338922 0.94 CYP3A4 (0.52) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
SCHEMBL4040369 0.93 LMNA (0.48) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
Hydrochloric Acid SCHEMBL4036505 0.93 LMNA (0.53) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
Hydrochloric Acid SCHEMBL4041643 0.92 LMNA (0.49) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
SCHEMBL4039594 0.92 MEN1 (0.39) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
Hydrochloric Acid SCHEMBL4037809 0.90 KMT2A (0.40) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
SCHEMBL6333770 0.89 KMT2A (0.39) CYP3A4CYP1A2CYP2D6CYP2C19MTOR
SCHEMBL4041840 0.89 SMN1; SMN2 (0.40) CYP3A4CYP1A2CYP2D6CYP2C19MTOR

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 9 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
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 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
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP 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 CYP3A4 1915/4885CYP1A2 924/4885CYP2D6 882/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A CYP3A4 1838/4885CYP1A2 863/4885CYP2D6 905/4885

“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.