SCHEMBL6510494

SCHEMBL6510494

O=C(NCc1ccccc1)c1ccc2[nH]c(=O)n(Cc3cccs3)c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 3/20 0.57
GLA P06280 3/20 0.57
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 6/20 0.57
TP53 P04637 4/20 0.54
IMPDH2 P12268 1/20 0.51
BACE1 P56817 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 2/20 0.47
MAPK10 P53779 1/20 0.47
MAPK3 P27361 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
SCHEMBL6243893 0.88 MAPT (0.71) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL6243319 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL6518572 0.83 MAPT (0.68) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL6514955 0.82 MAPT (0.71) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL6246064 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL6512971 0.81 KDM4E (0.56) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL6471343 0.80 MAPT (0.75) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL20989289 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL2611397 0.77 KDM4E (0.59) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL6256693 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 ALDH1A1 1357/4885KDM4E 1784/4885GLA 1634/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 ALDH1A1 4241/4885KDM4E 2484/4885GLA 1275/4885

“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.