SCHEMBL4297344

SCHEMBL4297344

CCCCCCCCCCCCc1cc(I)sc1-c1nc2cc3sc(-c4sc(I)cc4CCCCCCCCCCCC)nc3cc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TLR8 Q9NR97 11/20 0.34
GPR35 Q9HC97 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL9885159 0.87 GAA (0.37) GAANPC1MAPK1RAB9ATLR8
SCHEMBL9885158 0.87 GAA (0.37) GAANPC1MAPK1RAB9ATLR8
SCHEMBL12668888 0.85 GAA (0.35) GAANPC1MAPK1RAB9ATLR8
SCHEMBL4288397 0.85 GAA (0.35) GAANPC1MAPK1RAB9ATLR8
SCHEMBL9885163 0.83 NPC1 (0.41) GAANPC1MAPK1RAB9ATLR8
SCHEMBL12730032 0.82 GPR35 (0.41) GPR35CYP3A4MAPTALDH1A1MEN1
SCHEMBL9885161 0.82 GAA (0.33) GAANPC1MAPK1RAB9ATLR8
SCHEMBL15961718 0.82 GAA (0.33) GAANPC1MAPK1RAB9ATLR8
SCHEMBL1108985 0.81 GPR35 (0.32) TLR8GPR35CYP3A4MAPTMEN1
SCHEMBL17188250 0.80 GPR35 (0.32) GPR35CYP3A4MAPTMEN1TP53

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-2085401-B1 Benzobisthiazole compound, benzobisthiazole polymer, organic film including the compound or polymer and transistor including the organic film RICOH CO LTD (JP) 2014-07-30 EP disclosed
US-8193304-B2 Benzobisthiazole compound, benzobisthiazole polymer, organic film including the compound or polymer and transistor including the organic film RICOH COMPANY LIMITED (JP) 2012-06-05 US disclosed
US-20090230386-A1 BENZOBISTHIAZOLE COMPOUND, BENZOBISTHIAZOLE POLYMER, ORGANIC FILM INCLUDING THE COMPOUND OR POLYMER AND TRANSISTOR INCLUDING THE ORGANIC FILM RICOH COMPANY LIMITED (JP) 2009-09-17 US disclosed
EP-2085401-A1 Benzobisthiazole compound, benzobisthiazole polymer, organic film including the compound or polymer and transistor including the organic film Ricoh Company, Ltd. (JP) 2009-08-05 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-20090230386-A1 BENZOBISTHIAZOLE COMPOUND, BENZOBISTHIAZOLE POLYMER, ORGANIC FILM INCLUDING THE COMPOUND OR POLYMER AND TRANSISTOR INCLUDING THE ORGANIC FILM CYP3A43, CYP2C19, SLCO1B3 GAA 2862/4885NPC1 3976/4885MAPK1 1110/4885

“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.