SCHEMBL6454650

SCHEMBL6454650

COc1ccc(O)c(-c2ncn(-c3ncccc3C(F)(F)F)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.40
IDH1 O75874 1/20 0.39
NFE2L2 Q16236 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PHGDH O43175 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL6449646 0.84 CYP19A1 (0.44) CYP19A1NPC1IDH1ALDH1A1MAPT
SCHEMBL6450284 0.84 EPHX2 (0.36) HSD11B1NPC1TRPV1RBP4
SCHEMBL6460828 0.83 CYP19A1 (0.43) HSD11B1CYP19A1NPC1IDH1NFE2L2
SCHEMBL6451085 0.78 IDH1 (0.43) HSD11B1NPC1IDH1NFE2L2ALDH1A1
SCHEMBL6448755 0.78 MAPT (0.53) CYP19A1NPC1IDH1ALDH1A1MAPT
SCHEMBL6454678 0.73 CYP19A1 (0.42) HSD11B1CYP19A1NPC1IDH1ALDH1A1
SCHEMBL6450174 0.71 HSD11B1 (0.42) HSD11B1NPC1NFE2L2ALDH1A1GALR2
SCHEMBL6449959 0.70 CYP19A1 (0.43) CYP19A1NPC1IDH1NFE2L2ALDH1A1
SCHEMBL29454959 0.70 EPHX2 (0.47) HSD11B1TRPV1MAPTTSHRRBP4
SCHEMBL6450017 0.69 GRK6 (0.44) CYP19A1NPC1IDH1ALDH1A1MAPT

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 HSD11B1 357/4885CYP19A1 523/4885NPC1 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.