SCHEMBL2878595

SCHEMBL2878595

CCOc1ccc2c(I)c(-c3ccc([N+](=O)[O-])cc3)n(CC3CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
AR P10275 1/20 0.41
PTGS2 P35354 1/20 0.40
AURKA O14965 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ICMT O60725 1/20 0.35
KMT2A Q03164 2/20 0.35
OPRM1 P35372 2/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL2883977 0.88 SIGMAR1 (0.43) SIGMAR1ARPTGS2ALDH1A1LMNA
SCHEMBL2884731 0.88 SIGMAR1 (0.43) SIGMAR1ARPTGS2ALDH1A1LMNA
SCHEMBL2884790 0.79 SIGMAR1 (0.45) SIGMAR1ARPTGS2ALDH1A1LMNA
SCHEMBL2884005 0.78 TP53 (0.43) AURKAMAPTPOLBCYP1A2CYP2D6
SCHEMBL13051899 0.73 KCNH2 (0.42) LMNATDP1CYP3A4ICMTKMT2A
SCHEMBL2884324 0.72 KCNH2 (0.39) LMNATDP1ICMTKMT2AOPRM1
SCHEMBL2883878 0.72 KCNH2 (0.39) LMNATDP1ICMTKMT2AOPRM1
SCHEMBL13051900 0.72 ICMT (0.36) LMNAMAPTICMTOPRM1GRIN1
SCHEMBL13052090 0.72 ICMT (0.36) LMNAMAPTICMTOPRM1GRIN1
SCHEMBL13151807 0.69 TP53 (0.47) ALDH1A1LMNAMAPTICMT

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 9 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-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
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

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 SIGMAR1 1056/4885AR 3781/4885PTGS2 886/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SIGMAR1 1056/4885AR 3781/4885PTGS2 886/4885

“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.