SCHEMBL6459014

SCHEMBL6459014

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.57
SMN1; SMN2 Q16637 10/20 0.51
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
TP53 P04637 8/20 0.51
HSD17B10 Q99714 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 4/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL6450307 0.88 S1PR1 (0.51) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6452479 0.86 S1PR1 (0.52) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6449738 0.81 NPC1 (0.64) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6451277 0.81 SMN1; SMN2 (0.50) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6457047 0.81 S1PR1 (0.58) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6454839 0.80 S1PR1 (0.52) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6451282 0.79 NPC1 (0.74) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6448845 0.76 KDM4E (0.65) S1PR1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL7007771 0.74 SCN9A (0.46) L3MBTL1MAPK1RECQLLMNA
SCHEMBL6450069 0.74 NPC1 (0.49) SMN1; SMN2NPC1RAB9ATP53HSD17B10

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 3213/4885SMN1; SMN2 4633/4885NPC1 59/4885

“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.