Sugi Predict

Sugi Predict / Compounds / SCHEMBL974534

SCHEMBL974534

SCHEMBL974534

O=C(NO)c1sc2nc(-c3ccccc3)cn2c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.57
▸ TSHR P16473 7/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ LMNA P02545 5/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ HTT P42858 5/20 0.57
▸ USP2 O75604 4/20 0.57
▸ MAPT P10636 11/20 0.55
▸ KDM4E B2RXH2 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ TP53 P04637 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CASP1 P29466 1/20 0.52

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
SCHEMBL974926 0.77 MAPT (0.57) RAB9ATSHRSMN1; SMN2LMNANPC1
SCHEMBL8734370 0.71 PTGS2 (0.51) RAB9ATSHRSMN1; SMN2LMNANPC1
SCHEMBL1035519 0.68 MAPT (0.69) RAB9ATSHRSMN1; SMN2LMNANPC1
SCHEMBL8070025 0.67 SMN1; SMN2 (0.62) RAB9ATSHRSMN1; SMN2LMNANPC1
SCHEMBL1034707 0.66 LMNA (0.85) RAB9ATSHRSMN1; SMN2LMNANPC1
SCHEMBL5553168 0.66 RAB9A (0.65) RAB9ATSHRSMN1; SMN2LMNANPC1
SCHEMBL84416 0.66 RAB9A (0.64) RAB9ATSHRSMN1; SMN2LMNANPC1
Bromide SCHEMBL7479463 0.66 SMN1; SMN2 (0.64) RAB9ATSHRSMN1; SMN2LMNANPC1
SCHEMBL975727 0.65 CDC7 (0.86) SMN1; SMN2NPC1MAPTKDM4EHPGD
SCHEMBL10406349 0.65 RAB9A (0.52) RAB9ATSHRSMN1; SMN2LMNANPC1

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
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 — — EP 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 RAB9A 2879/4885TSHR 2697/4885SMN1; SMN2 2708/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 RAB9A 2879/4885TSHR 2697/4885SMN1; SMN2 2708/4885

“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.