SCHEMBL1494950

SCHEMBL1494950

COc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)c1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.83
ALDH1A1 P00352 8/20 0.83
GLA P06280 3/20 0.83
GAA P10253 3/20 0.83
LMNA P02545 2/20 0.83
POLB P06746 3/20 0.77
MAPT P10636 6/20 0.76
TP53 P04637 3/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
MAPK1 P28482 1/20 0.71
HPGD P15428 4/20 0.70
HSD17B10 Q99714 4/20 0.70
RECQL P46063 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
THRB P10828 2/20 0.69
CYP1A2 P05177 1/20 0.67
RAB9A P51151 1/20 0.67
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL1494784 0.85 KDM4E (0.77) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL9955795 0.84 KDM4E (0.72) KDM4EALDH1A1GLAGAALMNA
SCHEMBL34462373 0.82 TP53 (0.81) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL23760315 0.82 KDM4E (1.00) KDM4EALDH1A1GLAGAALMNA
SCHEMBL1494629 0.82 KDM4E (0.75) KDM4EALDH1A1GLAGAALMNA
SCHEMBL1494857 0.81 KDM4E (0.86) KDM4EALDH1A1GLAGAALMNA
SCHEMBL1494715 0.80 KDM4E (1.00) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL1494751 0.80 TP53 (0.86) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL1494904 0.79 THRB (0.82) KDM4EALDH1A1GLAGAALMNA
SCHEMBL22403265 0.79 KDM4E (0.79) KDM4EALDH1A1GLAGAALMNA

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-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 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 (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-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 KDM4E 2294/4885ALDH1A1 410/4885GLA 4505/4885

“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.