SCHEMBL2926540

SCHEMBL2926540

CSc1cnc2c(c1)cc(-c1ncccn1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
HTR6 P50406 4/20 0.36
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA2 P00918 1/20 0.34
LATS1 O95835 1/20 0.34

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
SCHEMBL2928170 0.88 HTR6 (0.43) HPGDCYP2C19ALDH1A1MAPTRECQL
SCHEMBL2929551 0.84 CYP2C19 (0.41) HPGDCYP2C19ALDH1A1MAPTRECQL
SCHEMBL2928711 0.83 ALDH1A1 (0.38) HPGDCYP2C19ALDH1A1MAPTRECQL
SCHEMBL2928089 0.82 ALDH1A1 (0.51) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2928077 0.81 ALDH1A1 (0.36) HPGDCYP2C19ALDH1A1MAPTRECQL
SCHEMBL2926095 0.81 HPGD (0.40) HPGDCYP2C19ALDH1A1MAPTRECQL
SCHEMBL2929374 0.76 NPC1 (0.39) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL2924501 0.76 MAPT (0.42) HPGDALDH1A1MAPTLMNARAB9A
SCHEMBL2928668 0.74 CYP2C19 (0.58) HPGDCYP2C19ALDH1A1LMNATSHR
SCHEMBL2929549 0.73 HTR6 (0.43) CYP2C19ALDH1A1MAPTRECQLLMNA

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-1086950-B1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-09-29 EP disclosed
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed
US-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-23 US disclosed
US-6875770-B2 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-05 US disclosed
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6673797-B1 CYCLOOXYGENASE-2 INHIBITORS; TREATING INFLAMMATORY DISEASE INDUCED BY CYCLOOXYGENASE-2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-06 US disclosed
EP-1086950-A1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-28 EP 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-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative PTGS2, IDO2, IDO1 HPGD 31/4885CYP2C19 60/4885ALDH1A1 228/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 HPGD 31/4885CYP2C19 55/4885ALDH1A1 176/4885

“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.