SCHEMBL6448607

SCHEMBL6448607

COc1ccccc1C(=O)NNC(=O)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
GAA P10253 2/20 0.63
MEN1 O00255 1/20 0.63
TP53 P04637 1/20 0.63
KMT2A Q03164 1/20 0.63
STAT3 P40763 1/20 0.63
PKM P14618 1/20 0.62
HPGD P15428 1/20 0.62
CDK5 Q00535 1/20 0.62
PAX8 Q06710 1/20 0.62
CDK5R1 Q15078 1/20 0.62
LMNA P02545 3/20 0.60
KDM4E B2RXH2 3/20 0.60
HTT P42858 2/20 0.60
ALPL P05186 1/20 0.58
ALDH1A1 P00352 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
SCHEMBL4563112 0.89 NPC1 (0.56) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL9525840 0.81 RAB9A (0.71) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL30118936 0.81 RAB9A (0.71) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL28871828 0.81 GAA (0.60) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL1147702 0.80 KDM4E (0.73) RAB9ANPC1SMN1; SMN2PKMHPGD
SCHEMBL6450640 0.80 KDM4E (0.60) RAB9ANPC1SMN1; SMN2PKMHPGD
SCHEMBL27178187 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL27178180 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL29510900 0.79 MEN1 (0.68) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL4651584 0.79 MEN1 (0.68) RAB9ANPC1SMN1; SMN2GAAMEN1

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC RAB9A 2483/4885NPC1 59/4885SMN1; SMN2 4633/4885

“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.