Sugi Predict

Sugi Predict / Compounds / SCHEMBL978375

SCHEMBL978375

SCHEMBL978375

O=C(NO)c1sc(C2CCN(CCc3c[nH]c4ccccc34)CC2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ ADRA2C P18825 1/20 0.54
▸ ADRA1D P25100 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ ADRA1B P35368 1/20 0.54
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ SNCA P37840 2/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ CCR2 P41597 1/20 0.43
▸ BCHE P06276 3/20 0.43
▸ ACHE P22303 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42

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
SCHEMBL975777 0.78 CDC7 (0.48) HDAC8HDAC6ACHESMN1; SMN2DRD2
SCHEMBL976945 0.75 CDC7 (0.55) HDAC8HDAC6MEN1KMT2AHDAC3
SCHEMBL12922068 0.74 CDC7 (0.47) KMT2ASMN1; SMN2
SCHEMBL974949 0.73 CDC7 (0.46) MAPTKMT2ASMN1; SMN2
SCHEMBL975197 0.73 UBE2M (0.51) HDAC8HDAC6MEN1MAPTKMT2A
SCHEMBL975616 0.72 CDC7 (0.46) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL24746495 0.72 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11333398 0.72 DRD2 (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL975813 0.72 L3MBTL1 (0.48) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL974223 0.71 SMN1; SMN2 (0.48) HDAC8HDAC6MEN1MAPTKMT2A

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 ADRA2A 3166/4885ADRA2B 2399/4885ADRA2C 3623/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ADRA2A 3166/4885ADRA2B 2399/4885ADRA2C 3623/4885

“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.