SCHEMBL5862463

SCHEMBL5862463

Nc1ccc(-c2sccc2O)c(N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.35
TSHR P16473 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
ALOX15 P16050 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 2/20 0.32
THRB P10828 2/20 0.32
CASP7 P55210 2/20 0.32
KMT2A Q03164 2/20 0.32
TNF P01375 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
SCHEMBL6872296 0.82 CASP1 (0.37) CASP1TSHRESR1ESR2KDM4E
SCHEMBL5705018 0.79 CASP1 (0.41) CASP1TSHRCA1CA2PDE10A
SCHEMBL6871969 0.78 CYP2A6 (0.50) CASP1TSHRPDE10AKDM4EALDH1A1
SCHEMBL6875840 0.78 CYP3A4 (0.39) CASP1TSHRCA1CA2ESR1
Hydrochloric Acid SCHEMBL6870947 0.76 CYP2A6 (0.49) CASP1TSHRPDE10AKDM4EMAPT
SCHEMBL5685322 0.73 CASP1 (0.50) CASP1TSHRCA1CA2PDE10A
SCHEMBL5704897 0.73 CASP1 (0.52) CASP1TSHRCA1CA2PDE10A
SCHEMBL5704963 0.73 CA1 (0.47) CASP1TSHRCA1CA2PDE10A
SCHEMBL6871869 0.71 TDP1 (0.54) TSHRMAPTALOX15HSD17B10TDP1
Hydrogen Peroxide SCHEMBL6265850 0.70 CASP1 (0.48) CASP1TSHRCA1CA2PDE10A

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 CASP1 320/4885TSHR 3514/4885CA1 757/4885

“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.