SCHEMBL9972173

SCHEMBL9972173

CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3

nearest known ligand 0.96

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.72
▸ TP53 P04637 2/20 0.72
▸ MEN1 O00255 6/20 0.70
▸ KMT2A Q03164 6/20 0.70
▸ LMNA P02545 3/20 0.68
▸ ALDH1A1 P00352 5/20 0.60
▸ POLB P06746 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.57
▸ RECQL P46063 1/20 0.57
▸ NPC1 O15118 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL9972172 0.98 MAPT (0.76) MAPTTP53MEN1KMT2ALMNA
SCHEMBL1102246 0.90 MAPT (0.64) MAPTTP53MEN1KMT2ALMNA
SCHEMBL8001203 0.88 MAPT (0.67) MAPTTP53MEN1KMT2ALMNA
SCHEMBL1101905 0.88 MAPT (0.67) MAPTTP53MEN1KMT2ALMNA
SCHEMBL13407753 0.87 MAPT (0.78) MAPTTP53MEN1KMT2ALMNA
SCHEMBL8002634 0.87 MAPT (0.67) MAPTTP53MEN1KMT2ALMNA
SCHEMBL13407750 0.82 MAPT (0.75) MAPTTP53MEN1KMT2ALMNA
SCHEMBL4144240 0.79 MAPT (0.62) MAPTTP53MEN1KMT2ALMNA
SCHEMBL541068 0.76 KMT2A (0.73) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL1101960 0.75 ALDH1A1 (1.00) MAPTMEN1KMT2ALMNAALDH1A1

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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 — — 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 MAPT 1883/4885TP53 4752/4885MEN1 2329/4885

“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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