SCHEMBL6450307

SCHEMBL6450307

COc1ccc(O)c(-c2nc(-c3nccc4ccccc34)no2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.51
NPC1 O15118 11/20 0.45
RAB9A P51151 8/20 0.45
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
TP53 P04637 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
CYP19A1 P11511 1/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42

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
SCHEMBL6452479 0.92 S1PR1 (0.52) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6459014 0.88 S1PR1 (0.57) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6454197 0.85 S1PR1 (0.51) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6449624 0.85 S1PR1 (0.50) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7153774 0.83 S1PR1 (0.51) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6448752 0.83 S1PR1 (0.48) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6454674 0.83 S1PR1 (0.48) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6450069 0.82 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL6452158 0.82 CYP19A1 (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL6450636 0.81 GUSB (0.48) NPC1RAB9AMAPTSMN1; SMN2TP53

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 2 patents. 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
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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 S1PR1 3213/4885NPC1 59/4885RAB9A 2483/4885

“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.