SCHEMBL8002634

SCHEMBL8002634

CCc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCCC4)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.67
▸ TP53 P04637 2/20 0.67
▸ LMNA P02545 2/20 0.66
▸ KMT2A Q03164 6/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ ALDH1A1 P00352 5/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ POLB P06746 2/20 0.54
▸ HTT P42858 1/20 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
SCHEMBL9972172 0.89 MAPT (0.76) MAPTTP53LMNAKMT2AMEN1
SCHEMBL8001203 0.88 MAPT (0.67) MAPTTP53LMNAKMT2AMEN1
SCHEMBL1101905 0.88 MAPT (0.67) MAPTTP53LMNAKMT2AMEN1
SCHEMBL13407753 0.88 MAPT (0.78) MAPTTP53LMNAKMT2AMEN1
SCHEMBL9972173 0.87 MAPT (0.72) MAPTTP53LMNAKMT2AMEN1
SCHEMBL1102246 0.86 MAPT (0.64) MAPTTP53LMNAKMT2AMEN1
SCHEMBL4147203 0.81 MAPT (0.54) MAPTTP53LMNAKMT2AMEN1
SCHEMBL1101914 0.80 POLB (0.76) MAPTTP53LMNAKMT2AMEN1
SCHEMBL15722389 0.80 KDM4E (0.73) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL18826078 0.79 KMT2A (0.76) MAPTTP53LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 — — US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 — — US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 — — US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 — — 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-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885TP53 4752/4885LMNA 1374/4885

“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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