SCHEMBL6452479

SCHEMBL6452479

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
NPC1 O15118 11/20 0.48
RAB9A P51151 8/20 0.48
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
TP53 P04637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.43
ALOX15 P16050 1/20 0.43
PTPN1 P18031 1/20 0.43
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
SCHEMBL6450307 0.92 S1PR1 (0.51) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6459014 0.86 S1PR1 (0.57) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6453098 0.82 MAPT (0.52) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6454139 0.81 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL6449738 0.81 NPC1 (0.64) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6449061 0.81 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL6449624 0.81 S1PR1 (0.50) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6454743 0.81 NPC1 (0.56) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6461158 0.81 GRK6 (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6457728 0.81 SMN1; SMN2 (0.47) S1PR1NPC1RAB9AMAPTSMN1; SMN2

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.