SCHEMBL4848134

SCHEMBL4848134

NCCCOCc1scc2c1-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
DRD2 P14416 5/20 0.32
DRD4 P21917 5/20 0.32
HRH4 Q9H3N8 3/20 0.32
TP53 P04637 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRB2 P07550 2/20 0.30
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
HTR1A P08908 2/20 0.30
CHRM5 P08912 2/20 0.30
ADRA2A P08913 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
CHRM1 P11229 2/20 0.30
ADRA2B P18089 2/20 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
SCHEMBL4842087 0.96 MAPK1 (0.38) MAPK1DRD2DRD4HRH4TP53
SCHEMBL4849206 0.89 KDM4E (0.30) MAPK1KDM4E
SCHEMBL4848841 0.84 MAPK1 (0.39) MAPK1DRD2DRD4HRH4TP53
SCHEMBL4850979 0.82 MAPK1 (0.38) MAPK1DRD2DRD4HRH4CYP1A2
SCHEMBL4848443 0.80 MAPK1 (0.39) MAPK1DRD2DRD4HRH4TP53
SCHEMBL6341181 0.79 MAPK1 (0.36) MAPK1DRD2DRD4HRH4TP53
SCHEMBL3881168 0.79 MAPK1 (0.38) MAPK1DRD2DRD4HRH4TP53
SCHEMBL4846600 0.79 MAPK1 (0.41) MAPK1DRD2DRD4HRH4TP53
SCHEMBL4845574 0.74 MAPK1 (0.41) MAPK1DRD2DRD4HRH4TP53
SCHEMBL4841926 0.73 PIM1 (0.33) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP claimed
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-10-26 US claimed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP claimed
US-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PILVA-ISTRAZIVACKI INSTITUT D.O.O. 2005-08-18 US claimed
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US claimed
US-7435834-B2 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-14 US disclosed
EP-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP disclosed
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-10-26 US disclosed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP disclosed
US-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PILVA-ISTRAZIVACKI INSTITUT D.O.O. 2005-08-18 US disclosed
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 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 (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-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B MAPK1 349/4885DRD2 1673/4885DRD4 2210/4885
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS DBH, MAOB, BCHE MAPK1 3036/4885DRD2 55/4885DRD4 137/4885
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B MAPK1 369/4885DRD2 1739/4885DRD4 2227/4885

“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.