SCHEMBL6216701

SCHEMBL6216701

O=CNc1ccnc(SCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
BCL6 P41182 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL3188137 0.81 RAB9A (0.52) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL30665391 0.76 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL21906129 0.76 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL30841348 0.73 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL21906037 0.73 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL1828420 0.73 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL21906009 0.73 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL19925549 0.73 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL29464847 0.73 HSD17B10 (0.50) ABL1RIN1NPC1RAB9AALDH1A1
SCHEMBL19968756 0.73 ALDH1A1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 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-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 ABL1 921/4885RIN1 1471/4885NPC1 1884/4885

“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.