SCHEMBL15112845

SCHEMBL15112845

COc1ccc(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MAPT P10636 8/20 0.63
MEN1 O00255 5/20 0.63
LMNA P02545 4/20 0.63
ALDH1A1 P00352 4/20 0.63
CASP7 P55210 1/20 0.62
CASP6 P55212 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
ACP1 P24666 1/20 0.60
DYRK1A Q13627 1/20 0.60
GAA P10253 1/20 0.60
CSNK1D P48730 4/20 0.59
NOD2 Q9HC29 1/20 0.59
HTT P42858 2/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL15489028 0.92 KMT2A (0.63) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL20862967 0.92 KMT2A (0.63) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL15063121 0.90 MAPT (0.74) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL15063122 0.89 MAPT (0.66) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL15083819 0.88 MAPT (0.65) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL18700065 0.87 MAPT (0.64) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL15113372 0.85 CSNK1D (0.81) MAPTGAACSNK1D
SCHEMBL15112849 0.85 CSNK1D (0.70) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL15113374 0.84 GAA (0.64) KMT2AMAPTMEN1LMNAGAA
SCHEMBL15112843 0.84 CSNK1D (0.71) MAPTLMNAGAACSNK1DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152485-A1 Method for Inducing Cardiac Differentiation of Pluripotent Stem Cell with Low-Molecular Compounds KYOTO UNIVERSITY (JP) 2017-06-01 US disclosed
US-20170152485-A1 Method for Inducing Cardiac Differentiation of Pluripotent Stem Cell with Low-Molecular Compounds KYOTO UNIVERSITY (JP) 2017-06-01 US disclosed
US-9587220-B2 Method for inducing cardiac differentiation of pluripotent stem cell KYOTO UNIVERSITY (JP) 2017-03-07 US disclosed
US-9587220-B2 Method for inducing cardiac differentiation of pluripotent stem cell KYOTO UNIVERSITY (JP) 2017-03-07 US disclosed
US-9499790-B2 Method for promoting differentiation of pluripotent stem cells into cardiac muscle cells KYOTO UNIVERSITY (JP) 2016-11-22 US disclosed
US-20160002600-A1 COMPOSITION FOR PROMOTING CARDIAC DIFFERENTIATION OF PLURIPOTENT STEM CELL COMPRISING EGFR INHIBITOR KYOTO UNIVERSITY (JP) 2016-01-07 US disclosed
US-20160002600-A1 COMPOSITION FOR PROMOTING CARDIAC DIFFERENTIATION OF PLURIPOTENT STEM CELL COMPRISING EGFR INHIBITOR KYOTO UNIVERSITY (JP) 2016-01-07 US disclosed
US-8658425-B2 Method for promoting differentiation of pluripotent stem cells into cardiac muscle cells KYOTO UNIVERSITY (JP) 2014-02-25 US disclosed
US-8658425-B2 Method for promoting differentiation of pluripotent stem cells into cardiac muscle cells KYOTO UNIVERSITY (JP) 2014-02-25 US disclosed
US-20130183753-A1 METHOD FOR PROMOTING DIFFERENTIATION OF PLURIPOTENT STEM CELLS INTO CARDIAC MUSCLE CELLS KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
US-20130183753-A1 METHOD FOR PROMOTING DIFFERENTIATION OF PLURIPOTENT STEM CELLS INTO CARDIAC MUSCLE CELLS KYOTO UNIVERSITY (JP) 2013-07-18 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 (1 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-20130183753-A1 METHOD FOR PROMOTING DIFFERENTIATION OF PLURIPOTENT STEM CELLS INTO CARDIAC MUSCLE CELLS TNNI3, MYLK2, TNNT2 KMT2A 3036/4885MAPT 4471/4885MEN1 4824/4885

“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.