SCHEMBL6452415

SCHEMBL6452415

Fc1ccccc1-c1nnc(-c2cccs2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.68
SMN1; SMN2 Q16637 13/20 0.68
KDM4E B2RXH2 13/20 0.68
ALDH1A1 P00352 12/20 0.68
NPC1 O15118 11/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
HPGD P15428 10/20 0.56
TSHR P16473 4/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 5/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MAPT P10636 3/20 0.50
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 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
SCHEMBL6451424 0.82 NPC1 (0.64) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL13762461 0.82 KDM4E (0.70) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6454156 0.81 KDM4E (0.68) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6453757 0.81 RAB9A (1.00) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL27619542 0.79 KDM4E (0.66) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL13930803 0.78 KDM4E (0.64) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6448674 0.77 ALDH1A1 (0.67) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL30410750 0.77 LTA4H (0.47) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL155112 0.77 LTA4H (0.47) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7059841 0.76 ALDH1A1 (0.73) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1

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 RAB9A 2483/4885SMN1; SMN2 4633/4885KDM4E 3106/4885

“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.