SCHEMBL10097622

SCHEMBL10097622

CCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCc4cccnc4)cc3n2CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NAMPT P43490 9/20 0.42
POLB P06746 1/20 0.40
S1PR3 Q99500 1/20 0.40
CSF1R P07333 1/20 0.40
PDE5A O76074 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL10096468 0.89 KMT2A (0.41) KMT2AMEN1NAMPTPOLBS1PR3
SCHEMBL10097679 0.83 AR (0.44) NAMPTPDE5APDE4APDE4BPDE4C
SCHEMBL10097378 0.82 ALDH1A1 (0.39) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10097676 0.81 MAPT (0.42) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10097381 0.80 KMT2A (0.53) KMT2APOLBCSF1RRAB9ANPC1
SCHEMBL10097442 0.80 MAPT (0.47) KMT2AMAPT
SCHEMBL12109162 0.80 KMT2A (0.39) KMT2AMEN1RAB9AMAPT
SCHEMBL10249407 0.80 PRMT6 (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL12950378 0.79 KMT2A (0.43) KMT2AMEN1POLBRAB9AMAPT
SCHEMBL13152319 0.79 GRM2 (0.45)

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 8 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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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
WO-2007084435-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 (3 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KMT2A 4464/4885MEN1 4800/4885NAMPT 2872/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KMT2A 4464/4885MEN1 4800/4885NAMPT 2872/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KMT2A 4114/4885MEN1 4860/4885NAMPT 601/4885

“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.