SCHEMBL2883878

SCHEMBL2883878

CCOc1ccc2c(Br)c(-c3ccc(N)cc3)n(CC3CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
SRC P12931 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ICMT O60725 1/20 0.38
CNR2 P34972 4/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.35
TERT O14746 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
LCK P06239 3/20 0.35
ABL1 P00519 2/20 0.35
CSK P41240 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34

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
SCHEMBL13051899 0.88 KCNH2 (0.42) KCNH2SRCTSHRTDP1ICMT
SCHEMBL2884324 0.87 KCNH2 (0.39) KCNH2SRCTSHRTDP1ICMT
SCHEMBL13051900 0.86 ICMT (0.36) KCNH2SRCICMTCNR2GRIN1
SCHEMBL2883977 0.85 SIGMAR1 (0.43) KCNH2SRCICMTGRIN1GRIN2B
SCHEMBL14466311 0.81 KCNH2 (0.35) KCNH2SRCTSHRTDP1ICMT
SCHEMBL2886247 0.80 TP53 (0.42) KCNH2SRCICMTCNR2MEN1
SCHEMBL12995681 0.79 ALDH1A1 (0.42) TDP1ICMTCNR2MEN1THRB
SCHEMBL12995683 0.79 TP53 (0.41) KCNH2SRCICMTCNR2MEN1
SCHEMBL14466301 0.78 CNR2 (0.41) TDP1CNR2GRIN1GRIN2BOPRM1
SCHEMBL10097663 0.75 TDP1 (0.42) KCNH2SRCTSHRTDP1MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (2 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KCNH2 2490/4885SRC 1803/4885TSHR 4161/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KCNH2 2490/4885SRC 1803/4885TSHR 4161/4885

“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.