SCHEMBL5863022

SCHEMBL5863022

Nc1ccc(N)c(-c2cc(O)cs2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
THRB P10828 4/20 0.33
CASP1 P29466 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CA14 Q9ULX7 2/20 0.33
CYP3A4 P08684 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
HIF1A Q16665 1/20 0.33
RECQL P46063 2/20 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
SCHEMBL7805990 0.78 CASP1 (0.38) PDE10ATHRBCASP1ALDH1A1TDP1
SCHEMBL7808508 0.75 LOXL2 (0.38)
SCHEMBL7807362 0.75 CA2 (0.41) THRBCASP1ALDH1A1TDP1ALOX15
SCHEMBL7812137 0.74 ALDH1A1 (0.31) THRBALDH1A1TDP1ALOX15CYP3A4
SCHEMBL7812204 0.74 ALDH1A1 (0.39) CASP1ALDH1A1TDP1ALOX15CYP3A4
SCHEMBL7808890 0.74 NOS3 (0.33) CASP1ALDH1A1TDP1ALOX15HSD17B10
SCHEMBL6572102 0.71 ALDH1A1 (0.48) PDE10AESR1ESR2THRBCASP1
SCHEMBL3338155 0.70 CASP1 (0.46) PDE10ATHRBCASP1ALDH1A1TDP1
SCHEMBL5705050 0.69 CASP1 (0.42) PDE10AESR1ESR2THRBCASP1
SCHEMBL33847 0.69 KCNH2 (0.53) ALDH1A1TDP1HSD17B10CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 PDE10A 2786/4885ESR1 4196/4885ESR2 3484/4885

“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.