SCHEMBL978003

SCHEMBL978003

Nc1ccccc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1ccncc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
RAB9A P51151 7/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
NAMPT P43490 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL976202 0.90 PDGFRB (0.47) KDM1AHDAC6MEN1KMT2A
SCHEMBL977866 0.88 KDM1A (0.45) KDM1ARAB9ANPC1HDAC6GPR142
SCHEMBL978804 0.84 KDM4E (0.50) KDM1ARAB9AALDH1A1KDM4ENPSR1
SCHEMBL13822878 0.84 KDM1A (0.51) KDM1ARAB9AALDH1A1KDM4ENPSR1
SCHEMBL976881 0.83 THRB (0.49) KDM1ARAB9AALDH1A1KDM4ENPC1
SCHEMBL976352 0.83 KDM1A (0.52) KDM1ARAB9AALDH1A1KDM4ENPSR1
SCHEMBL976864 0.82 HDAC1 (0.49) KDM1ASMN1; SMN2HDAC6NAMPT
SCHEMBL977872 0.81 HDAC3 (0.45) HDAC6NAMPT
SCHEMBL976453 0.80 ALDH1A1 (0.63) KDM1ARAB9AALDH1A1KDM4ENPSR1
SCHEMBL976671 0.80 CSNK1E (0.43) KDM1ARAB9ANPC1NAMPT

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-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO claimed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 KDM1A 38/4885RAB9A 1395/4885ALDH1A1 912/4885

“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.