SCHEMBL1494680

SCHEMBL1494680

O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.72
KDM4E B2RXH2 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
ALDH1A1 P00352 5/20 0.72
KMT2A Q03164 4/20 0.72
HPGD P15428 3/20 0.72
HTT P42858 2/20 0.72
MEN1 O00255 2/20 0.72
CYP2C19 P33261 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
CYP1A2 P05177 2/20 0.66
RAB9A P51151 6/20 0.64
MAPT P10636 4/20 0.64
POLB P06746 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
PKM P14618 1/20 0.64
SMO Q99835 8/20 0.61
MAPK1 P28482 1/20 0.59
LMNA P02545 2/20 0.55
GFER P55789 1/20 0.55

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
SCHEMBL1494801 0.86 MAPT (0.71) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1495002 0.86 CYP1A2 (0.72) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL13381558 0.84 CYP1A2 (0.63) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL7121697 0.84 PPARG (0.79) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL4728184 0.84 PPARG (0.68) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1494805 0.84 KDM4E (1.00) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL4727131 0.83 KDM4E (0.64) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL19322176 0.83 KDM4E (0.82) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1494782 0.83 KDM4E (0.75) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1495015 0.82 ALDH1A1 (0.64) NPC1KDM4ESMN1; SMN2ALDH1A1KMT2A

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-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

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 NPC1 1768/4885KDM4E 2294/4885SMN1; SMN2 4057/4885

“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.