SCHEMBL1494818

SCHEMBL1494818

CC(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.78
RAB9A P51151 8/20 0.78
TP53 P04637 7/20 0.78
NPC1 O15118 7/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
POLB P06746 3/20 0.70
ALDH1A1 P00352 9/20 0.67
RXFP1 Q9HBX9 1/20 0.65
MAPT P10636 3/20 0.62
HPGD P15428 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL1494962 0.87 KDM4E (1.00) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL1494896 0.86 ALDH1A1 (0.71) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL1494911 0.85 KDM4E (0.79) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL1494709 0.83 POLB (1.00) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL1494694 0.82 POLB (0.66) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL2740005 0.81 KDM4E (0.71) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL15101539 0.79 KDM4E (0.62) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL1494792 0.76 ALDH1A1 (0.67) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL15101540 0.76 RAB9A (0.68) KDM4ERAB9ATP53NPC1SMN1; SMN2
SCHEMBL13408632 0.75 DHODH (0.60) KDM4ERAB9ATP53NPC1SMN1; SMN2

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 6 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-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 2294/4885RAB9A 1191/4885TP53 1151/4885

“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.