SCHEMBL4820706

SCHEMBL4820706

CN(CC#Cc1ccc(C(=O)NO)cc1)C(=O)c1nc(-c2ccccc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
SCD O00767 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PHGDH O43175 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
MASP2 O00187 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
SCHEMBL4250402 0.92 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4811116 0.85 MAOB (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4816205 0.80 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4815776 0.78 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4256684 0.78 MASP2 (0.46) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4816189 0.76 MASP2 (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5971496 0.76 MASP2 (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5970393 0.76 MASP2 (0.50) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4819143 0.74 HDAC1 (0.53) RAB9AHDAC6HDAC1HDAC3HDAC8
SCHEMBL18186462 0.73 KMT2A (0.61) MAPTNPC1RAB9AALDH1A1MEN1

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
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP claimed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP claimed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US claimed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO claimed
US-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 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 (2 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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 MAPT 2799/4885SMN1; SMN2 3020/4885NPC1 1565/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 MAPT 2799/4885SMN1; SMN2 3020/4885NPC1 1565/4885

“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.