SCHEMBL978338

SCHEMBL978338

COc1cccc(OCC(=O)N2CCc3cc(C(=O)Nc4ccccc4N)sc3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KDM1A O60341 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RECQL P46063 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL976172 0.90 MEN1 (0.45) GAAKDM1ATAAR1KDM4EALDH1A1
SCHEMBL976814 0.84 F10 (0.54) GAAKDM4EALDH1A1HPGDNPC1
SCHEMBL976841 0.81 F10 (0.51) GAAHPGDNPC1RAB9A
SCHEMBL978009 0.79 F10 (0.51) GAAHPGDNPC1RAB9A
SCHEMBL13822878 0.79 KDM1A (0.51) KDM1AKDM4EALDH1A1MAPTPOLB
SCHEMBL975104 0.78 KDM1A (0.47) KDM1ATAAR1KDM4EALDH1A1MAPT
SCHEMBL977489 0.77 KDM4E (0.44) KDM1AKDM4EALDH1A1MAPTPOLB
SCHEMBL976881 0.76 THRB (0.49) KDM1ATAAR1KDM4EALDH1A1MAPT
SCHEMBL978516 0.76 F10 (0.52) TAAR1HDAC6HDAC1HDAC2HDAC10
SCHEMBL977937 0.75 F10 (0.53) GAAMAPTHPGDNPC1RAB9A

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
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

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 GAA 1551/4885KDM1A 38/4885TAAR1 3949/4885

“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.