SCHEMBL1494867

SCHEMBL1494867

CC(=O)Nc1ccc(-c2cn3ccc(C)nc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.67
NPC1 O15118 9/20 0.67
KDM4E B2RXH2 8/20 0.67
ALDH1A1 P00352 7/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
HPGD P15428 5/20 0.67
GAA P10253 4/20 0.67
GLA P06280 3/20 0.67
CYP1A2 P05177 2/20 0.67
HSD17B10 Q99714 2/20 0.67
TP53 P04637 4/20 0.60
POLB P06746 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
WDR5 P61964 1/20 0.49

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
SCHEMBL17626897 0.85 RAB9A (0.65) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1494858 0.84 SMN1; SMN2 (0.59) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1494906 0.81 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1494849 0.81 RAB9A (0.66) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1494933 0.79 ALDH1A1 (0.71) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15101432 0.78 PDE10A (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1494844 0.78 ALDH1A1 (0.50) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15101433 0.76 RAB9A (0.59) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1494896 0.75 ALDH1A1 (0.71) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17275572 0.75 PDE10A (0.63) RAB9ANPC1KDM4EALDH1A1SMN1; 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 10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 US disclosed
EP-3103450-A1 NONE-HYDROPHOBIC COMPOUNDS FOR USE IN TREATING METASTASIS AND/OR CARTILAGE DEFECT Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2016-12-14 EP 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-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 (2 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 RAB9A 2614/4885NPC1 475/4885KDM4E 4343/4885
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 1191/4885NPC1 1768/4885KDM4E 2294/4885

“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.