SCHEMBL975104

SCHEMBL975104

COCCNC(=O)N1CCc2cc(C(=O)Nc3ccccc3N)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
HDAC6 Q9UBN7 3/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC1 Q13547 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL977516 0.93 KDM1A (0.55) KDM1AHDAC6KDM4EALDH1A1RAB9A
SCHEMBL13822878 0.82 KDM1A (0.51) KDM1AHDAC6KDM4EALDH1A1RAB9A
SCHEMBL976881 0.81 THRB (0.49) KDM1AKDM4EALDH1A1RAB9AHPGD
SCHEMBL976535 0.81 F10 (0.47) RAB9A
SCHEMBL977713 0.81 ABCB1 (0.42) KDM1AHDAC6ALDH1A1RAB9AHPGD
SCHEMBL976864 0.80 HDAC1 (0.49) KDM1AHDAC6SMN1; SMN2HDAC2HDAC1
SCHEMBL978003 0.80 KDM1A (0.48) KDM1AHDAC6KDM4EALDH1A1RAB9A
SCHEMBL976453 0.79 ALDH1A1 (0.63) KDM1AHDAC6KDM4EALDH1A1RAB9A
SCHEMBL978338 0.78 GAA (0.48) KDM1AHDAC6KDM4EALDH1A1RAB9A
SCHEMBL976202 0.78 PDGFRB (0.47) KDM1AHDAC6HDAC2HDAC1KMT2A

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 9 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
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 38/4885HDAC6 11/4885KDM4E 49/4885

“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.