Sugi Predict

Sugi Predict / Compounds / SCHEMBL974949

SCHEMBL974949

SCHEMBL974949

O=C(NO)c1sc(C2CCN(C(=O)N3CCCC3)CC2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.46
▸ DBF4 Q9UBU7 1/20 0.46
▸ BTK Q06187 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.42
▸ LMNA P02545 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ UBE2M P61081 2/20 0.39
▸ DCUN1D1 Q96GG9 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL12922068 0.88 CDC7 (0.47) CDC7DBF4BTKALDH1A1LMNA
SCHEMBL975197 0.87 UBE2M (0.51) CDC7DBF4BTKALDH1A1LMNA
SCHEMBL975813 0.83 L3MBTL1 (0.48) CDC7DBF4ALDH1A1LMNAHTT
SCHEMBL975616 0.82 CDC7 (0.46) CDC7DBF4BTKALDH1A1LMNA
SCHEMBL975777 0.82 CDC7 (0.48) CDC7DBF4BTKLMNASMN1; SMN2
SCHEMBL974223 0.81 SMN1; SMN2 (0.48) CDC7DBF4LMNAHTTSMN1; SMN2
SCHEMBL976945 0.79 CDC7 (0.55) CDC7DBF4ALDH1A1KMT2AMAPK1
SCHEMBL976579 0.74 L3MBTL1 (0.53) HTTSMN1; SMN2KMT2AHPGDNPSR1
SCHEMBL975487 0.73 ALDH1A1 (0.71) CDC7DBF4ALDH1A1LMNAHTT
SCHEMBL20027736 0.73 BTK (0.56) CDC7DBF4BTKALDH1A1HTT

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
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
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885BTK 2497/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885BTK 2497/4885

“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.