SCHEMBL14664044

SCHEMBL14664044

O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4)cc3)o2)cc1)[C@@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.58
▸ SCN9A Q15858 2/20 0.58
▸ HSD17B10 Q99714 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ DHODH Q02127 2/20 0.51
▸ JAK2 O60674 2/20 0.49
▸ PDGFRB P09619 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ IKBKB O14920 2/20 0.49
▸ AAK1 Q2M2I8 2/20 0.49
▸ KIT P10721 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ RPS6KB1 P23443 1/20 0.49

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
SCHEMBL13388756 0.86 SCN3A (0.64) SCN3ASCN9ALMNADHODHJAK2
SCHEMBL14828738 0.85 SCN3A (0.59) SCN3ASCN9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12489110 0.85 SCN3A (0.59) SCN3ASCN9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12489758 0.84 SCN3A (0.57) SCN3ASCN9ADHODHJAK2PDGFRB
SCHEMBL10222766 0.81 ALDH1A1 (0.58) SCN3ASCN9AHSD17B10HPGDSMN1; SMN2
SCHEMBL1752153 0.81 SCN3A (0.59) SCN3ASCN9AHPGDSMN1; SMN2MEN1
SCHEMBL17676966 0.81 SCN3A (0.59) SCN3ASCN9AHPGDSMN1; SMN2MEN1
SCHEMBL17676961 0.81 SCN3A (0.59) SCN3ASCN9AHPGDSMN1; SMN2MEN1
SCHEMBL10223615 0.79 SCN3A (0.50) SCN3ASCN9ASMN1; SMN2MEN1KMT2A
SCHEMBL7692273 0.79 SCN3A (0.56) SCN3ASCN9AHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SCN3A 4081/4885SCN9A 3921/4885HSD17B10 2037/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SCN3A 4081/4885SCN9A 3921/4885HSD17B10 2037/4885

“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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