SCHEMBL6449845

SCHEMBL6449845

COc1ccc(O)c(C(=O)NNC(=O)c2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.55
P2RX1 P51575 1/20 0.55
LMNA P02545 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.45
POLB P06746 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.44
FADS1 O60427 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MDM2 Q00987 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL6469138 0.82 GLA (0.56) P2RX1LMNAKMT2AMEN1POLB
SCHEMBL6451241 0.76 TMPRSS4 (0.51) TMPRSS4P2RX1LMNAKMT2AMEN1
SCHEMBL25350656 0.76 TMPRSS4 (0.65) TMPRSS4P2RX1KMT2AMEN1FADS1
SCHEMBL11125942 0.74 ALDH1A1 (0.57) LMNAKMT2AMEN1MAPK1GLA
SCHEMBL11125943 0.74 ALDH1A1 (0.57) LMNAKMT2AMEN1MAPK1GLA
SCHEMBL330643 0.73 TMPRSS4 (0.69) TMPRSS4P2RX1KMT2AMEN1HPGD
SCHEMBL17111063 0.72 ALDH1A1 (0.56) LMNAKMT2AMEN1MAPK1GLA
SCHEMBL4125681 0.72 MAPK1 (0.59) LMNAKMT2AMEN1MAPK1GLA
SCHEMBL31338969 0.72 MAPK1 (0.59) LMNAKMT2AMEN1MAPK1GLA
SCHEMBL2169418 0.71 PKM (0.57) LMNAKMT2AMEN1MAPK1GLA

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 1 patent. 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

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 TMPRSS4 1403/4885P2RX1 2051/4885LMNA 2406/4885

“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.