SCHEMBL6450407

SCHEMBL6450407

Fc1cc(-c2nc(-c3ccc(C(F)(F)F)cn3)n[nH]2)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.43
ALOX5AP P20292 7/20 0.43
HPGDS O60760 1/20 0.42
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
DGAT1 O75907 1/20 0.40
TOP1 P11387 1/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN2A Q99250 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6457945 0.82 RAB9A (0.57) HPGDSNR1H2NR1H3DGAT1TOP1
SCHEMBL6454632 0.80 ALDH1A1 (0.53) HPGDSNR1H2NR1H3DGAT1RAB9A
SCHEMBL6453051 0.79 THRB (0.39) FEN1ALOX5APRAB9ASMN1; SMN2NPC1
SCHEMBL6454205 0.77 NR1H2 (0.56) NR1H2NR1H3RAB9AKDM4ESMN1; SMN2
SCHEMBL6453081 0.76 SMN1; SMN2 (0.44) FEN1ALOX5APHPGDSNR1H2NR1H3
SCHEMBL6448397 0.76 TRPV1 (0.42) FEN1ALOX5APHPGDSNR1H2NR1H3
SCHEMBL6450010 0.75 MAPT (0.53) RAB9ASMN1; SMN2SCN2ANPC1LMNA
SCHEMBL6452058 0.75 NR1H2 (0.46) HPGDSNR1H2NR1H3DGAT1RAB9A
SCHEMBL6450106 0.75 ADORA2A (0.53) HPGDSNR1H2NR1H3RAB9AKDM4E
SCHEMBL6459405 0.74 NPC1 (0.40) HPGDSNR1H2NR1H3RAB9AKDM4E

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 FEN1 4392/4885ALOX5AP 1665/4885HPGDS 398/4885

“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.