SCHEMBL6454422

SCHEMBL6454422

Fc1ccccc1-c1nnc(-c2ncccc2C(F)(F)F)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.46
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 2/20 0.40
EGFR P00533 1/20 0.40
NOTUM Q6P988 2/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6450697 0.85 KDM4E (0.56) ATRKDM4ENPC1RAB9AALDH1A1
SCHEMBL6450954 0.85 RAB9A (0.57) ATRKDM4ENPC1RAB9AALDH1A1
SCHEMBL6452396 0.84 NOTUM (0.54) ATRKDM4ENPC1RAB9AALDH1A1
SCHEMBL7192264 0.82 HSD17B10 (0.48) ATRKDM4ENPC1RAB9AALDH1A1
SCHEMBL6451424 0.76 NPC1 (0.64) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL6448854 0.73 NPC1 (0.50) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL6448391 0.71 MEN1 (0.40) ATRKDM4ENPC1RAB9AALDH1A1
SCHEMBL6452385 0.71 ALDH1A1 (0.52) ATRKDM4ENPC1RAB9AALDH1A1
SCHEMBL15624412 0.71 TRPV1 (0.47) ADRA1A
SCHEMBL29464894 0.71 TRPV1 (0.44) NFE2L2NOTUMADRA1AHSD11B1

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 ATR 4464/4885KDM4E 3106/4885NPC1 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.