SCHEMBL6829987

SCHEMBL6829987

Oc1c(S)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
RAB9A P51151 10/20 0.52
MEN1 O00255 10/20 0.52
KMT2A Q03164 10/20 0.52
NPC1 O15118 6/20 0.52
MAPK1 P28482 4/20 0.52
GAA P10253 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
GPR3 P46089 1/20 0.50
KDM4E B2RXH2 8/20 0.47
LMNA P02545 2/20 0.47
CASP1 P29466 1/20 0.47
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
MAOB P27338 4/20 0.42

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
SCHEMBL19135547 0.79 GPR3 (0.52) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL28479943 0.77 MAPT (0.52) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6503590 0.76 GPR3 (0.55) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL26737371 0.76 GPR3 (0.55) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11768220 0.73 GPR3 (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL28540289 0.73 GPR3 (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL10745045 0.73 KDM4E (0.52) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL3093060 0.73 GPR3 (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL28383390 0.73 KDM4E (0.52) MAPTRAB9AMEN1KMT2ANPC1
Dibenzothiophene SCHEMBL28979299 0.72 GPR3 (0.93) MAPTRAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347963-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1347963-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6433005-B1 SELECTIVE COX II INHIBITOR SYNTEX (U.S.A.) LLC 2002-08-13 US disclosed
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-08-08 US disclosed
WO-2002046178-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO disclosed
US-4621091-A 5-LIPOXYGENASE INHIBITORS; USEFUL IN TREATMENT OF INFLAMMATION, PAIN AND FEVER MERCK & CO., INC. (US) 1986-11-04 US disclosed
US-4621091-A 5-LIPOXYGENASE INHIBITORS; USEFUL IN TREATMENT OF INFLAMMATION, PAIN AND FEVER MERCK & CO., INC. (US) 1986-11-04 US disclosed
EP-0177927-A1 3-Hydroxybenzo[b]thiophene-2-sulfide derivatives as specific-5-lipoxygenase inhibitors MERCK & CO. INC. (US) 1986-04-16 EP disclosed
EP-0177927-A1 3-Hydroxybenzo[b]thiophene-2-sulfide derivatives as specific-5-lipoxygenase inhibitors MERCK & CO. INC. (US) 1986-04-16 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 (1 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-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SULT1E1, SULT2A1, SULT1A1 MAPT 2655/4885RAB9A 4769/4885MEN1 4829/4885

“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.