Sugi Predict

Sugi Predict / Compounds / SCHEMBL974223

SCHEMBL974223

SCHEMBL974223

O=C(NO)c1sc(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HDAC3 O15379 3/20 0.47
▸ HDAC4 P56524 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ MMP2 P08253 1/20 0.45
▸ MMP13 P45452 1/20 0.45

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
SCHEMBL976579 0.90 L3MBTL1 (0.53) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL975616 0.88 CDC7 (0.46) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL12922068 0.82 CDC7 (0.47) SMN1; SMN2KMT2AHTTHPGDPHGDH
SCHEMBL974949 0.81 CDC7 (0.46) SMN1; SMN2KMT2AMAPTHTTNPSR1
SCHEMBL975197 0.81 UBE2M (0.51) KMT2AMEN1MAPTHPGDHDAC3
SCHEMBL975777 0.80 CDC7 (0.48) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL975813 0.78 L3MBTL1 (0.48) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL4808487 0.77 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL976945 0.77 CDC7 (0.55) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL20027736 0.71 BTK (0.56) SMN1; SMN2MAPTHTTNPSR1HPGD

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 SMN1; SMN2 2708/4885KMT2A 60/4885MEN1 3189/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 SMN1; SMN2 2708/4885KMT2A 60/4885MEN1 3189/4885

“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.