SCHEMBL976599

SCHEMBL976599

Nc1ccccc1NC(=O)c1cc2c(s1)CCN(C(=O)Nc1ccccc1OC(F)F)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
KDM1A O60341 1/20 0.55
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
KMT2A Q03164 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39

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
SCHEMBL976453 0.93 ALDH1A1 (0.63) ALDH1A1KDM1ARAB9ANPC1HTT
SCHEMBL13822812 0.81 KDM1A (0.60) ALDH1A1KDM1ARAB9AHTTSMN1; SMN2
SCHEMBL977442 0.80 NAMPT (0.51) ALDH1A1KDM1ARAB9ANPC1HTT
SCHEMBL976711 0.80 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL977516 0.79 KDM1A (0.55) ALDH1A1KDM1ARAB9AHTTSMN1; SMN2
SCHEMBL976352 0.78 KDM1A (0.52) ALDH1A1KDM1ARAB9ANPC1KDM4E
SCHEMBL976821 0.74 KDM1A (0.50) ALDH1A1KDM1ARAB9AHTTSMN1; SMN2
SCHEMBL13822878 0.73 KDM1A (0.51) ALDH1A1KDM1ARAB9AHTTSMN1; SMN2
SCHEMBL976881 0.73 THRB (0.49) ALDH1A1KDM1ARAB9ANPC1HTT
SCHEMBL978003 0.73 KDM1A (0.48) ALDH1A1KDM1ARAB9ANPC1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 912/4885KDM1A 38/4885RAB9A 1395/4885

“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.