SCHEMBL5329073

SCHEMBL5329073

COCCOc1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 5/20 0.67
MAPT P10636 4/20 0.67
POLB P06746 1/20 0.67
LTA4H P09960 8/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ALOX5 P09917 1/20 0.50
ATP4A P20648 1/20 0.47
ATP4B P51164 1/20 0.47

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
SCHEMBL3143838 0.86 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8113094 0.85 ATP4A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7384847 0.83 LTA4H (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7403707 0.83 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7364268 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1802368 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL127807 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL25236610 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL31084661 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL14992797 0.80 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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 (1 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 RAB9A 1430/4885NPC1 4395/4885SMN1; SMN2 2323/4885

“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.