SCHEMBL6450697

SCHEMBL6450697

Oc1ccccc1-c1nnc(-c2ncccc2C(F)(F)F)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP2C19 P33261 1/20 0.56
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
ATR Q13535 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CHUK O15111 1/20 0.39
TXNRD1 Q16881 1/20 0.39
NOX4 Q9NPH5 1/20 0.39

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
SCHEMBL6454422 0.85 ATR (0.46) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL6449133 0.84 KDM4E (0.66) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL6450954 0.84 RAB9A (0.57) KDM4EALDH1A1HSD17B10ATRNPC1
SCHEMBL7192264 0.81 HSD17B10 (0.48) KDM4EALDH1A1HSD17B10POLBATR
SCHEMBL6448391 0.78 MEN1 (0.40) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL9737555 0.75 NPC1 (0.64) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL6448377 0.72 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL23451551 0.70 NOTUM (0.54) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL6450021 0.70 ADORA2A (0.53) HSD17B10NPC1RAB9APKMMAPK1
SCHEMBL15624412 0.70 TRPV1 (0.47) TRPV1ADRA1A

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 KDM4E 3106/4885ALDH1A1 287/4885HSD17B10 205/4885

“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.