SCHEMBL4850840

SCHEMBL4850840

O=Cc1scc2c1-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
HTR2B P41595 1/20 0.32
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2A6 P11509 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
SCHEMBL9526139 0.72 HSD17B10 (0.42) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL4847299 0.69 GPR84 (0.33) ALDH1A1KDM4EHPGDL3MBTL1MEN1
SCHEMBL19537629 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL17073678 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL4847704 0.64 PABPC1 (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4840475 0.64 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL9414143 0.63 DPP4 (0.42) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL11012876 0.62 GPR84 (0.51) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL16363784 0.60 ADORA3 (0.52) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL1235476 0.60

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 15 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
EP-1509530-A1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-03-02 EP claimed
WO-2003084962-A1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 WO 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-1684702-A2 USE OF 2-THIA-DIBENZO(E,H) AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP 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
WO-2005041856-A2 USE OF 2-THIA-DIBENZO[E, H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-12 WO 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 ALDH1A1 45/4885KDM4E 3200/4885HPGD 113/4885
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 ALDH1A1 208/4885KDM4E 1693/4885HPGD 190/4885
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B ALDH1A1 45/4885KDM4E 3201/4885HPGD 118/4885

“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.