SCHEMBL13407756

SCHEMBL13407756

N#CCSc1nc2sc3ccccc3c2c(=O)n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ ALDH1A1 P00352 8/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ TSHR P16473 4/20 0.53
▸ PTGS2 P35354 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ PDE7A Q13946 3/20 0.44
▸ PDE7B Q9NP56 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL14982040 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL13407757 0.82 ALDH1A1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL13407755 0.81 POLB (0.53) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL13407754 0.79 KDM4E (0.70) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL15113094 0.74 POLB (0.53) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL15113093 0.72 LMNA (0.44) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL12136764 0.72 MEN1 (0.70) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL13407750 0.69 MAPT (0.75) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL5805462 0.69 KDM4E (0.71) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL5804110 0.69 KDM4E (0.74) MEN1KMT2AALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024662-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2014-01-23 — — US disclosed
US-20100087453-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-08 — — 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 (2 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-20140024662-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT ASAH2, LITAF, CYP27A1 MEN1 2053/4885KMT2A 4813/4885ALDH1A1 1140/4885
US-20100087453-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT ASAH2, LITAF, CYP27A1 MEN1 2131/4885KMT2A 4822/4885ALDH1A1 1121/4885

“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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