SCHEMBL6448397

SCHEMBL6448397

Fc1cc(-c2nc(-c3ncccc3C(F)(F)F)n[nH]2)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.42
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
HPGDS O60760 1/20 0.40
DGAT1 O75907 1/20 0.40
NTRK1 P04629 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FEN1 P39748 2/20 0.38
S1PR1 P21453 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
TNK2 Q07912 1/20 0.37
ALOX5AP P20292 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
SCHEMBL6449903 0.84 NR1H2 (0.47) NR1H2NR1H3HPGDSDGAT1SMN1; SMN2
SCHEMBL6448692 0.84 NR1H2 (0.44) NR1H2NR1H3HPGDSDGAT1SMN1; SMN2
SCHEMBL6453081 0.80 SMN1; SMN2 (0.44) NR1H2NR1H3HPGDSDGAT1SMN1; SMN2
SCHEMBL6454208 0.80 TRPV1 (0.39) TRPV1NR1H2NR1H3DGAT1SMN1; SMN2
SCHEMBL6454148 0.80 SMN1; SMN2 (0.53) TRPV1NR1H2NR1H3DGAT1SMN1; SMN2
SCHEMBL6457945 0.79 RAB9A (0.57) NR1H2NR1H3HPGDSDGAT1SMN1; SMN2
SCHEMBL6448731 0.77 NR1H2 (0.56) TRPV1NR1H2NR1H3
SCHEMBL6450407 0.76 FEN1 (0.43) NR1H2NR1H3HPGDSDGAT1SMN1; SMN2
SCHEMBL6451202 0.75 MAPT (0.53) SMN1; SMN2NPC1RAB9A
SCHEMBL6453884 0.75 TRPV1 (0.44) TRPV1NR1H2NR1H3SMN1; 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 TRPV1 1359/4885NR1H2 34/4885NR1H3 24/4885

“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.