SCHEMBL1494845

SCHEMBL1494845

CC(=O)Nc1cccc(-c2cn3c(C)cccc3n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
ALDH1A1 P00352 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
MAPT P10636 3/20 0.71
LMNA P02545 1/20 0.71
GAA P10253 1/20 0.71
RECQL P46063 1/20 0.71
BLM P54132 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TP53 P04637 6/20 0.52
FYN P06241 2/20 0.51
STAT1 P42224 1/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 3/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL1494777 0.87 TP53 (0.69) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1494663 0.82 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1494775 0.81 MAPT (0.78) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL15101505 0.78 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11007567 0.75 ADORA2A (0.61) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL15101506 0.74 MAPT (0.55) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL12318239 0.74 NPC1 (0.62) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL23535607 0.74 FYN (0.55) RAB9ANPC1RXFP1FYN
SCHEMBL30006113 0.74 FYN (0.55) RAB9ANPC1RXFP1FYN
SCHEMBL23535587 0.73 FYN (0.64) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1

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 4 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-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 KDM4E 2294/4885ALDH1A1 410/4885SMN1; 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.