SCHEMBL2153255

SCHEMBL2153255

O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MMP1 P03956 1/20 0.66
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
ALDH1A1 P00352 8/20 0.60
HPGD P15428 3/20 0.59
GAA P10253 1/20 0.58
ACHE P22303 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 2/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL2153154 0.88 MMP1 (0.75) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL1542223 0.80 PKM (0.63) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL11068063 0.79 KMT2A (0.74) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL11060904 0.77 KMT2A (0.73) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL6995692 0.76 KMT2A (0.67) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL1083633 0.76 MEN1 (0.77) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL3887061 0.74 MEN1 (0.71) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL6967304 0.73 ALDH1A1 (0.93) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL2153304 0.73 ALDH1A1 (0.74) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL2153021 0.73 ALDH1A1 (0.70) MEN1KMT2AMMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 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 (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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 MEN1 4634/4885KMT2A 4294/4885MMP1 233/4885

“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.