SCHEMBL1494849

SCHEMBL1494849

Cc1ccn2cc(-c3ccc(NC(=O)c4cccs4)cc3)nc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.66
ALDH1A1 P00352 9/20 0.66
NPC1 O15118 9/20 0.66
KDM4E B2RXH2 8/20 0.66
SMN1; SMN2 Q16637 8/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 5/20 0.66
POLB P06746 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
HTT P42858 1/20 0.66
HPGD P15428 6/20 0.59
MEN1 O00255 4/20 0.59
TP53 P04637 3/20 0.59
HSD17B10 Q99714 2/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
GLA P06280 2/20 0.57
GAA P10253 2/20 0.57

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
SCHEMBL1494817 0.84 KDM4E (0.79) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL1494867 0.81 RAB9A (0.67) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL1494858 0.80 SMN1; SMN2 (0.59) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL1494776 0.79 RAB9A (1.00) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL19392293 0.73 NPC1 (0.89) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL1494902 0.73 KDM4E (1.00) RAB9AALDH1A1KDM4EKMT2AMAPT
SCHEMBL1494933 0.71 ALDH1A1 (0.71) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL15101432 0.70 PDE10A (0.45) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL17275572 0.70 PDE10A (0.63) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL12495837 0.70 NPC1 (1.00) RAB9AALDH1A1NPC1KDM4ESMN1; 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 7 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
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 RAB9A 1191/4885ALDH1A1 410/4885NPC1 1768/4885

“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.