SCHEMBL6451085

SCHEMBL6451085

COc1ccc(-c2ccn(-c3ncccc3C(F)(F)F)n2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.43
HSD11B1 P28845 1/20 0.43
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
NFE2L2 Q16236 2/20 0.39
TRPV1 Q8NER1 3/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL6460828 0.94 CYP19A1 (0.43) IDH1HSD11B1GALR2GALR1NFE2L2
SCHEMBL6450174 0.90 HSD11B1 (0.42) HSD11B1GALR2GALR1NFE2L2MEN1
SCHEMBL6454408 0.84 IDH1 (0.46) IDH1MEN1KMT2AALDH1A1MAPT
SCHEMBL6451311 0.83 SYK (0.40) HSD11B1NPC1RAB9APDE4APDE4B
SCHEMBL6449976 0.82 EPHX2 (0.41) HSD11B1MEN1KMT2AKDM4ECAPN1
SCHEMBL6452335 0.81 GABRA1 (0.41) HSD11B1NFE2L2ALDH1A1MAPTKDM4E
SCHEMBL6449993 0.79 EPHX2 (0.36) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL6454650 0.78 HSD11B1 (0.41) IDH1HSD11B1GALR2GALR1NFE2L2
SCHEMBL6448695 0.77 MAPT (0.50) IDH1MEN1KMT2AALDH1A1MAPT
SCHEMBL6454162 0.77 CYP19A1 (0.46) IDH1MEN1KMT2AALDH1A1MAPT

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 1 patent. 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

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 IDH1 89/4885HSD11B1 357/4885GALR2 3936/4885

“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.