SCHEMBL73600

SCHEMBL73600

COc1cccc2c(CC(N)=O)csc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
ACACA Q13085 2/20 0.42
ICMT O60725 1/20 0.42
ACHE P22303 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
PLA2G10 O15496 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK8 P45983 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5639741 0.86 L3MBTL1 (0.50) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL73376 0.82 L3MBTL1 (0.47) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL73404 0.78 TAAR1 (0.53)
SCHEMBL15016169 0.76 MTNR1A (0.47) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL1010680 0.73 LMNA (0.64) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL7551013 0.73 GAA (0.48) L3MBTL1KDM4ECYP1A2CYP3A4ALDH1A1
SCHEMBL1032325 0.72 CA12 (0.50) L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL72871 0.72 KMT2A (0.47) KDM4ECYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL3142808 0.71 PSMB5 (0.52) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL11220923 0.71 PLA2G2A (0.51) L3MBTL1KDM4ECYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A L3MBTL1 4498/4885KDM4E 2531/4885CYP1A2 676/4885
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A L3MBTL1 4481/4885KDM4E 2674/4885CYP1A2 679/4885

“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.