SCHEMBL22352229

SCHEMBL22352229

CCCNCc1nc2cc(-c3cc4cc(NC(=O)[C@@H]5CCCN5)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.43
▸ DHODH Q02127 3/20 0.41
▸ SCN3A Q9NY46 3/20 0.41
▸ SCN9A Q15858 3/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ KCNQ2 O43526 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36

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
SCHEMBL24731265 0.84 PSMB8 (0.43) PSMB8DHODHSCN3ASCN9AULK1
SCHEMBL19488872 0.83 SCN3A (0.43) PSMB8DHODHSCN3ASCN9AULK1
SCHEMBL20966403 0.81 PSMB8 (0.47) PSMB8DHODHSCN3ASCN9AULK1
SCHEMBL10223087 0.81 PSMB8 (0.47) PSMB8DHODHSCN3ASCN9AULK1
SCHEMBL19488883 0.81 DHODH (0.41) PSMB8DHODHSCN3ASCN9AULK1
SCHEMBL30065297 0.77 SCN3A (0.53) PSMB8DHODHSCN3ASCN9AULK1
SCHEMBL30065277 0.77 SCN3A (0.53) PSMB8DHODHSCN3ASCN9AULK1
SCHEMBL19488545 0.76 DHODH (0.36) PSMB8DHODHSCN3ASCN9AHDAC3
SCHEMBL19488875 0.75 DHODH (0.35) PSMB8DHODHSCN3ASCN9AHDAC3
SCHEMBL19339438 0.75 SCN3A (0.62) PSMB8DHODHSCN3ASCN9ASCN5A

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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 — — 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PSMB8 985/4885DHODH 1045/4885SCN3A 4477/4885

“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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