SCHEMBL21276100

SCHEMBL21276100

O=Cc1cc2ccccc2c2c1sc1ccc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ ERN1 O75460 4/20 0.39
▸ NQO2 P16083 2/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CYP2A6 P11509 3/20 0.37
▸ CYP1B1 Q16678 5/20 0.36
▸ CYP1A1 P04798 5/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 3/20 0.33
▸ PAX8 Q06710 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ AHR P35869 1/20 0.33

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
SCHEMBL22963846 0.85 NQO2 (0.39) POLBPTPN1NQO2NQO1CYP2A6
SCHEMBL17382483 0.76 HSD17B10 (0.44) POLBPTPN1NQO2NQO1CYP2A6
SCHEMBL18810714 0.76 ALDH1A1 (0.42) POLBNQO2NQO1CYP2A6CYP1B1
SCHEMBL22963863 0.76 MAPT (0.40) NQO2NQO1CYP2A6CYP1B1CYP1A1
SCHEMBL22963859 0.76 CYP1A1 (0.43) CYP1B1CYP1A1MEN1KMT2ACYP1A2
SCHEMBL18750614 0.75 HSD17B10 (0.45) NQO2NQO1CYP2A6CYP1B1CYP1A1
SCHEMBL22963845 0.74 CYP1A2 (0.41) CA2CYP1B1CYP1A1MEN1KMT2A
SCHEMBL17037122 0.74 HPRT1 (0.50) NQO2NQO1CYP2A6CYP1B1CYP1A1
SCHEMBL30062535 0.74 HSD17B10 (0.52) NQO2NQO1CYP2A6CYP1B1ALDH1A1
SCHEMBL13250616 0.74 HSD17B10 (0.52) NQO2NQO1CYP2A6CYP1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385035-B2 Dinaphthothiophene compounds SAINT LOUIS UNIVERSITY (US) 2019-08-20 — — US 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-10385035-B2 Dinaphthothiophene compounds DDT, DNTT, GNPAT POLB 1390/4885PTPN1 1738/4885ERN1 4576/4885

“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.

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