SCHEMBL978340

SCHEMBL978340

O=C(Nc1nc(-c2ccccc2)c(C(=O)NO)s1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.78
SMN1; SMN2 Q16637 5/20 0.76
KMT2A Q03164 3/20 0.76
NPC1 O15118 2/20 0.76
ALDH1A1 P00352 1/20 0.76
RAB9A P51151 1/20 0.76
ADORA1 P30542 11/20 0.67
ADORA2A P29274 8/20 0.67
NPSR1 Q6W5P4 4/20 0.64
KDM4E B2RXH2 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
MAPT P10636 3/20 0.58
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
CDC7 O00311 1/20 0.56
DBF4 Q9UBU7 1/20 0.56
MEN1 O00255 1/20 0.55

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
SCHEMBL3587631 0.89 ADORA3 (0.82) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL235132 0.84 ADORA2A (0.76) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL3590806 0.83 ADORA3 (0.69) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL974509 0.82 RORC (0.60) SMN1; SMN2KMT2AADORA1ADORA2ACDC7
SCHEMBL23797827 0.81 ADORA3 (1.00) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL17107156 0.80 ALDH1A1 (0.79) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL544501 0.80 ADORA3 (0.68) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL3580925 0.80 KMT2A (0.78) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL16607177 0.78 NPC1 (0.83) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL975727 0.78 CDC7 (0.86) SMN1; SMN2KMT2ANPC1ALDH1A1NPSR1

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-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 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 (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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ADORA3 2383/4885SMN1; SMN2 2708/4885KMT2A 60/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ADORA3 2383/4885SMN1; SMN2 2708/4885KMT2A 60/4885

“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.