SCHEMBL20133976

SCHEMBL20133976

Nc1ccc(NCc2cccc(S)c2)c(F)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 4/20 0.36
▸ KCNQ2 O43526 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ MEF2D Q14814 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ NCOR1 O75376 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ APP P05067 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ SHMT2 P34897 1/20 0.33
▸ KCNQ4 P56696 1/20 0.32
▸ KCNQ5 Q9NR82 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL20129870 0.83 KCNQ3 (0.43) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL20129861 0.82 BACE1 (0.46) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL20129864 0.81 APP (0.48) KCNQ3KCNQ2HDAC3RPS6KB1APP
SCHEMBL29721496 0.81 APP (0.48) KCNQ3KCNQ2HDAC3RPS6KB1APP
SCHEMBL17749119 0.81 KCNQ3 (0.34) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL23711052 0.81 KCNQ3 (0.34) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL17749207 0.75 KCNQ3 (0.56) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL20129875 0.73 KCNQ2 (0.50) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL20129866 0.71 KCNQ3 (0.43) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL17749144 0.71 KCNQ2 (0.60) KCNQ3KCNQ2HDAC3APPKCNQ4

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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 — — 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 KCNQ3 1235/4885KCNQ2 1257/4885MEN1 1794/4885

“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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