SCHEMBL10097519

SCHEMBL10097519

CCCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OC(F)(F)F)cc3n2CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CNR1 P21554 1/20 0.40
CCR2 P41597 1/20 0.40
POLB P06746 1/20 0.39
PTGS2 P35354 1/20 0.39
GOT1 P17174 1/20 0.39
KDR P35968 2/20 0.39
MCHR1 Q99705 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 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
SCHEMBL12950378 0.95 KMT2A (0.43) EPHX2CNR1CCR2POLBGOT1
SCHEMBL13151792 0.91 EPHX2 (0.42) EPHX2HDAC1HDAC2CNR1POLB
SCHEMBL10097437 0.90 HDAC1 (0.41) HDAC1HDAC2KDRMAPTMEN1
SCHEMBL10097442 0.88 MAPT (0.47) HDAC1HDAC2KDRMAPTKMT2A
SCHEMBL10096193 0.87 EPHX2 (0.41) EPHX2HDAC1HDAC2CNR1CCR2
SCHEMBL10097444 0.87 HDAC1 (0.40) EPHX2HDAC1HDAC2KDRMAPT
SCHEMBL13151762 0.86 CHRNA7 (0.41) EPHX2MEN1KMT2ALMNA
SCHEMBL12950228 0.85 KMT2A (0.40) EPHX2POLBMEN1KMT2ALMNA
SCHEMBL13151734 0.85 KMT2A (0.40) EPHX2MEN1KMT2ALMNA
SCHEMBL13152373 0.85 KMT2A (0.44) EPHX2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885HDAC1 591/4885HDAC2 951/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP EPHX2 2880/4885HDAC1 833/4885HDAC2 1342/4885

“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.