SCHEMBL1494776

SCHEMBL1494776

O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 1.00
NPC1 O15118 9/20 1.00
KDM4E B2RXH2 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
ALDH1A1 P00352 6/20 1.00
KMT2A Q03164 6/20 1.00
MAPT P10636 4/20 1.00
POLB P06746 4/20 1.00
HTT P42858 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
HPGD P15428 4/20 0.64
MEN1 O00255 4/20 0.64
CYP2C19 P33261 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PKM P14618 2/20 0.63
TSHR P16473 1/20 0.60
CYP1A2 P05177 1/20 0.59
TMIGD3 P0DMS9 1/20 0.57
TP53 P04637 1/20 0.57
NFKB1 P19838 1/20 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
SCHEMBL1494819 0.88 ALDH1A1 (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1494817 0.82 KDM4E (0.79) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19322176 0.82 KDM4E (0.82) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1494571 0.81 KDM4E (0.77) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1494782 0.79 KDM4E (0.75) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1494849 0.79 RAB9A (0.66) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1494680 0.78 NPC1 (0.72) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1494805 0.78 KDM4E (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1495002 0.78 CYP1A2 (0.72) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1494801 0.78 MAPT (0.71) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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 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.