SCHEMBL10097693

SCHEMBL10097693

CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(N)c2ccc(OCC)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
TP53 P04637 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 1/20 0.46
FPR2 P25090 1/20 0.44
MAPT P10636 4/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
CSF1R P07333 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX1 P07099 1/20 0.42
CNR1 P21554 2/20 0.41

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
SCHEMBL10097427 0.95 KMT2A (0.52) KMT2ATP53CA2CA12CA1
SCHEMBL10097381 0.93 KMT2A (0.53) KMT2ATP53CA2CA12CA1
SCHEMBL10097331 0.92 FPR2 (0.52) KMT2ACA2CA12CA1CA9
SCHEMBL12108935 0.90 MAPT (0.45) KMT2ATP53MAPTNPC1RAB9A
SCHEMBL10097682 0.89 MAPT (0.48) KMT2ATP53MAPTNPC1
SCHEMBL10096376 0.88 KMT2A (0.49) KMT2ATP53CA2CA12CA1
SCHEMBL12950382 0.88 MAPT (0.42) KMT2ATP53POLBMAPTNPC1
SCHEMBL10097428 0.87 KMT2A (0.47) KMT2ATP53CA2CA12CA1
SCHEMBL10097769 0.87 KMT2A (0.52) KMT2ATP53CA2CA12CA1
SCHEMBL10252498 0.85 FPR2 (0.53) KMT2ACA2CA12CA1CA9

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 KMT2A 4464/4885TP53 1262/4885CA2 1877/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KMT2A 4114/4885TP53 1710/4885CA2 3704/4885

“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.