SCHEMBL6451397

SCHEMBL6451397

CC(C)(C)c1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA2A P29274 1/20 0.34
KDR P35968 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
DHODH Q02127 1/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL6451144 0.87 HPGD (0.45) KDM4EADORA2AALDH1A1HPGDALOX15
SCHEMBL6448361 0.86 GRK6 (0.40) TDP1KDM4EADORA2AKDRNPC1
SCHEMBL6451139 0.85 IDO1 (0.42) TDP1KDM4EADORA2ANPC1GPBAR1
SCHEMBL6453630 0.84 IDO1 (0.41) ADORA2AALDH1A1HPGDALOX15MEN1
SCHEMBL6461011 0.84 GRK6 (0.42) TDP1KDM4EADORA2AHPGDMEN1
SCHEMBL6454834 0.84 GRK6 (0.45) KDM4EALDH1A1HPGDALOX15MEN1
SCHEMBL15674700 0.82 ALDH1A1 (0.42) TDP1KDM4EALDH1A1HPGDALOX15
SCHEMBL6454714 0.82 ADORA2A (0.53) ADORA2AKDRHPGDALOX15HSD17B10
SCHEMBL6449765 0.81 ADORA2A (0.38) TDP1KDM4EADORA2AALDH1A1HPGD
SCHEMBL6450026 0.80 GRK6 (0.48) TDP1KDM4EALDH1A1MEN1KMT2A

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 TDP1 4550/4885KDM4E 3106/4885ADORA2A 1442/4885

“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.