SCHEMBL13407757

SCHEMBL13407757

Cc1sc2nc(SCC#N)n(-c3ccccc3)c(=O)c2c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ KMT2A Q03164 6/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ TSHR P16473 3/20 0.63
▸ LMNA P02545 1/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.61
▸ TP53 P04637 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ GLA P06280 1/20 0.59
▸ GAA P10253 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ POLB P06746 1/20 0.53
▸ EGFR P00533 1/20 0.52
▸ TGM2 P21980 2/20 0.52

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
SCHEMBL13407756 0.82 MEN1 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL13407758 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL13407754 0.79 KDM4E (0.70) ALDH1A1KMT2AMEN1NPSR1TP53
SCHEMBL20228946 0.79 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL20228922 0.77 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL20228945 0.76 KMT2A (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL12136764 0.74 MEN1 (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL21528229 0.74 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL13407750 0.73 MAPT (0.75) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL20228944 0.73 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR

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 ALDH1A1 1140/4885KMT2A 4813/4885MEN1 2053/4885
US-20100087453-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT ASAH2, LITAF, CYP27A1 ALDH1A1 1121/4885KMT2A 4822/4885MEN1 2131/4885

“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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