SCHEMBL6449976

SCHEMBL6449976

Oc1ccccc1-c1ccn(-c2ncccc2C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
HSD11B1 P28845 4/20 0.40
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
CXCL8 P10145 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
RBP4 P02753 2/20 0.38
NTRK1 P04629 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMO O15229 1/20 0.36
HTT P42858 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
SCHEMBL6449993 0.86 EPHX2 (0.36) EPHX2HSD11B1MEN1TNFCXCL8
SCHEMBL6460828 0.83 CYP19A1 (0.43) HSD11B1MEN1KMT2AALOX15LMNA
SCHEMBL6452335 0.83 GABRA1 (0.41) EPHX2HSD11B1ALOX15MAPK1HSD17B10
SCHEMBL6451085 0.82 IDH1 (0.43) HSD11B1MEN1KMT2AKDM4ECAPN1
SCHEMBL3277091 0.76 EPHX2 (0.48) EPHX2HSD11B1MEN1KMT2AGAA
SCHEMBL17023407 0.75 EPHX2 (0.47) EPHX2HSD11B1MEN1KMT2AMAPK1
SCHEMBL6448711 0.74 ALDH1A1 (0.46) MEN1KMT2AMAPK1LMNAKDM4E
SCHEMBL6450174 0.74 HSD11B1 (0.42) EPHX2HSD11B1MEN1KMT2AKDM4E
SCHEMBL6449004 0.73 GRM5 (0.50) ALOX15HSD17B10LMNAGAAKDM4E
SCHEMBL6449875 0.72 PTGER1 (0.45) HSD11B1HTTCYP1A2CAPN1

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 EPHX2 520/4885HSD11B1 357/4885MEN1 3473/4885

“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.