SCHEMBL6448674

SCHEMBL6448674

COc1ccccc1-c1nnc(-c2cccs2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.67
KDM4E B2RXH2 14/20 0.67
RAB9A P51151 14/20 0.67
SMN1; SMN2 Q16637 12/20 0.67
NPC1 O15118 12/20 0.63
HPGD P15428 10/20 0.63
HSD17B10 Q99714 6/20 0.63
TP53 P04637 3/20 0.63
GAA P10253 2/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL6453757 0.80 RAB9A (1.00) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1284485 0.79 APP (0.62) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL13762461 0.79 KDM4E (0.70) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL13393606 0.78 BRD4 (0.63) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL6454156 0.77 KDM4E (0.68) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL6452415 0.77 RAB9A (0.68) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL29392031 0.76 EGFR (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL22471897 0.76 EGFR (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL11816106 0.76 RAB9A (0.72) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL6450847 0.76 RAB9A (0.64) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1

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 ALDH1A1 287/4885KDM4E 3106/4885RAB9A 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.