SCHEMBL6457047

SCHEMBL6457047

COc1ccc2ccccc2c1-c1nc(-c2nccc3ccccc23)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.58
MAPT P10636 5/20 0.51
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NISCH Q9Y2I1 1/20 0.45
SMN1; SMN2 Q16637 10/20 0.41
RAB9A P51151 9/20 0.41
NPC1 O15118 9/20 0.41
TP53 P04637 6/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR3 Q99500 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7049815 0.87 MAPT (0.48) S1PR1MAPTMEN1KMT2ANISCH
SCHEMBL6450392 0.82 NPC1 (0.63) S1PR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7642915 0.82 MAPT (0.66) S1PR1MAPTMEN1KMT2ANISCH
SCHEMBL7053110 0.81 MAPT (0.42) S1PR1MAPTMEN1KMT2ANISCH
SCHEMBL6459014 0.81 S1PR1 (0.57) S1PR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6449975 0.81 S1PR1 (0.50) S1PR1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL6454839 0.79 S1PR1 (0.52) S1PR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6449738 0.76 NPC1 (0.64) S1PR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6448845 0.74 KDM4E (0.65) S1PR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6452479 0.74 S1PR1 (0.52) S1PR1MAPTMEN1KMT2ASMN1; 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 3213/4885MAPT 2805/4885MEN1 3473/4885

“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.