SCHEMBL6454632

SCHEMBL6454632

FC(F)(F)c1ccc(-c2n[nH]c(-c3cccc(Br)c3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
DCUN1D1 Q96GG9 2/20 0.47
IDO1 P14902 2/20 0.41
METAP2 P50579 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
DGAT1 O75907 1/20 0.40
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDR P35968 1/20 0.39
SCN2A Q99250 1/20 0.38

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
SCHEMBL7049857 0.83 NPC1 (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6454205 0.83 NR1H2 (0.56) HPGDNPC1RAB9ASMN1; SMN2DCUN1D1
SCHEMBL6450010 0.81 MAPT (0.53) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL6453051 0.80 THRB (0.39) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6450407 0.80 FEN1 (0.43) NPC1RAB9ASMN1; SMN2NR1H2NR1H3
SCHEMBL6453795 0.79 GRK6 (0.42) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
SCHEMBL6449767 0.77 SMN1; SMN2 (0.65) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6449955 0.77 JAK2 (0.49) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6448859 0.77 GRK6 (0.44) NPC1RAB9ASMN1; SMN2MEN1TSHR
SCHEMBL5314102 0.76 IDO1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AIDO1

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 287/4885HPGD 258/4885NPC1 59/4885

“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.