SCHEMBL10097529

SCHEMBL10097529

CCOCCOC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.35
MAPT P10636 5/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE7A Q13946 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL10097603 0.94 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CHRM3HPGD
SCHEMBL10097369 0.93 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1CHRM3HPGD
SCHEMBL10097798 0.93 SMN1; SMN2 (0.40) ALDH1A1KMT2AMEN1CHRM3HPGD
SCHEMBL13152157 0.92 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL10097354 0.92 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1CHRM3HPGD
SCHEMBL13152739 0.92 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CHRM3HPGD
SCHEMBL13152122 0.91 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1CHRM3HPGD
SCHEMBL10097481 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL13152132 0.90 MEN1 (0.41) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL13052768 0.90 SMN1; SMN2 (0.36) ALDH1A1KMT2AMEN1HPGDMAPT

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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ALDH1A1 563/4885KMT2A 4617/4885MEN1 4825/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KMT2A 4464/4885MEN1 4800/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KMT2A 4464/4885MEN1 4800/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885KMT2A 4114/4885MEN1 4860/4885

“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.