SCHEMBL2884790

SCHEMBL2884790

CCOc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)n(CC3CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
AR P10275 1/20 0.43
PTGS2 P35354 1/20 0.42
SRC P12931 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 3/20 0.38
OPRM1 P35372 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL13051902 0.83 SRC (0.41) SRCKCNH2TP53OPRM1CNR2
SCHEMBL13053317 0.80 PTGS2 (0.47) PTGS2LMNAKMT2AMAPTMEN1
SCHEMBL2883977 0.79 SIGMAR1 (0.43) SIGMAR1ARPTGS2SRCKCNH2
SCHEMBL2884731 0.79 SIGMAR1 (0.43) SIGMAR1ARPTGS2SRCKCNH2
SCHEMBL2878595 0.79 SIGMAR1 (0.43) SIGMAR1ARPTGS2LMNAKMT2A
SCHEMBL2884727 0.73 NR1H2 (0.54) LMNAKMT2AMAPTMEN1TP53
SCHEMBL2886381 0.69 APP (0.41) KCNH2LMNAKMT2AMAPTMEN1
SCHEMBL11259004 0.69 FBP1 (0.46) ARKMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL45896 0.68 PTGS2 (0.80) PTGS2LMNAKMT2AMAPTMEN1
SCHEMBL11251055 0.68 ESR1 (0.44) LMNAKMT2AMAPTMEN1ALDH1A1

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 12 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
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 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.