SCHEMBL7098938

SCHEMBL7098938

N#Cc1ccc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 3/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
FASN P49327 1/20 0.47
HTR6 P50406 3/20 0.46
KCNH2 Q12809 3/20 0.46
USP1 O94782 1/20 0.44
CFTR P13569 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL31160880 0.82 KDM4E (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL28932333 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL10085009 0.80 KDM4E (0.68) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL7101724 0.80 KMT2A (0.78) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL30877025 0.78 HPGD (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL6982894 0.78 HPGD (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL9761035 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL6218489 0.77 HPGD (0.65) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL96088 0.77 CFTR (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL28684283 0.75 KDM4E (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1

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-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 (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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 ALDH1A1 1357/4885KDM4E 1784/4885HPGD 228/4885

“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.