SCHEMBL5244308

SCHEMBL5244308

O=Cc1nc2c(s1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.59
ADAMTS5 Q9UNA0 1/20 0.35
MAPT P10636 7/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL5244729 0.76 KDM4E (0.37) NPY5RALDH1A1KDM4EMEN1KMT2A
SCHEMBL5244989 0.75 NPY5R (0.65) NPY5RMAPTALDH1A1KDM4EMEN1
SCHEMBL5244919 0.74 NPY5R (0.48) NPY5RMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5247456 0.71 NPY5R (0.59) NPY5RALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL762997 0.69 ALDH1A1 (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5245073 0.68 STK17B (0.36) MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL5244998 0.68 MAPK1 (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6231367 0.67 NPY5R (0.40) NPY5RMAPTALDH1A1KDM4EHSD17B10
SCHEMBL2293985 0.67 NPY5R (0.40) NPY5RMAPTALDH1A1KDM4EHSD17B10
SCHEMBL5247406 0.65 NPY5R (0.51) NPY5RMEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684751-B1 USE OF 1-THIA-DIBENZO E,H AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-12 EP claimed
US-7262302-B2 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US claimed
US-20070078123-A1 1-Thia-3-aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PILVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-04-05 US claimed
EP-1684751-A1 USE OF 1-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) 2006-08-02 EP claimed
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-05-25 US claimed
WO-2005049020-A1 USE OF 1-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) 2005-06-02 WO claimed
EP-1684751-B1 USE OF 1-THIA-DIBENZO E,H AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-12 EP disclosed
US-7262302-B2 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
US-20070078123-A1 1-Thia-3-aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PILVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-04-05 US disclosed
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-05-25 US disclosed
EP-1509532-A1 1-THIA-3-AZA-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 disclosed
WO-2003099827-A1 1-THIA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 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 (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-20070078123-A1 1-Thia-3-aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, MAOB NPY5R 91/4885ADAMTS5 1404/4885MAPT 351/4885
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B NPY5R 3712/4885ADAMTS5 685/4885MAPT 2802/4885

“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.