SCHEMBL976453

SCHEMBL976453

Nc1ccccc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1ccccc1OC(F)F)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
KDM1A O60341 1/20 0.48
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 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
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL976599 0.93 ALDH1A1 (0.63) ALDH1A1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL976711 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTKDM4EMAPT
SCHEMBL13822878 0.81 KDM1A (0.51) ALDH1A1KDM1ARAB9ASMN1; SMN2HTT
SCHEMBL978003 0.80 KDM1A (0.48) ALDH1A1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL976881 0.80 THRB (0.49) ALDH1A1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL978288 0.79 ALDH1A1 (0.43) ALDH1A1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL975104 0.79 KDM1A (0.47) ALDH1A1KDM1ARAB9ASMN1; SMN2HTT
SCHEMBL976202 0.78 PDGFRB (0.47) KDM1AHDAC6KMT2AHDAC3HDAC1
SCHEMBL978804 0.78 KDM4E (0.50) ALDH1A1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL977489 0.74 KDM4E (0.44) ALDH1A1KDM1ARAB9ASMN1; SMN2HTT

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 8 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
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 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.