SCHEMBL1494790

SCHEMBL1494790

Cc1cccc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)cn12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.61
KDM4E B2RXH2 3/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
RECQL P46063 1/20 0.58
BLM P54132 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 1/20 0.57
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
JAK2 O60674 1/20 0.49
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL1495055 0.87 TP53 (0.57) KDM4ELMNAGAAMAPTRECQL
SCHEMBL1494923 0.87 SMN1; SMN2 (0.58) SMOKDM4ELMNAGAAMAPT
SCHEMBL1494680 0.81 NPC1 (0.72) SMOKDM4ELMNAMAPTTDP1
SCHEMBL1495015 0.75 ALDH1A1 (0.64) SMOKDM4EGAAMAPTTP53
SCHEMBL13325744 0.74 MAPT (0.59) KDM4ELMNAGAAMAPTRECQL
SCHEMBL3367434 0.74 RAB9A (0.65) KDM4ELMNAGAAMAPTRECQL
SCHEMBL14553224 0.74 NPC1 (0.78) SMOKDM4EMAPTTDP1TP53
SCHEMBL30640575 0.73 SMO (0.63) SMOMAPTTDP1ALDH1A1MEN1
SCHEMBL1104800 0.72 MAPT (0.61) KDM4ELMNAGAAMAPTRECQL
SCHEMBL1494845 0.72 KDM4E (0.71) KDM4ELMNAGAAMAPTRECQL

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 SMO 2/4885KDM4E 2294/4885LMNA 4566/4885

“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.