SCHEMBL6512772

SCHEMBL6512772

O=C(O)c1ccc2[nH]c(=S)n(Cc3ccccc3)c(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.70
MEN1 O00255 7/20 0.70
ALDH1A1 P00352 4/20 0.60
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 3/20 0.54
RXFP1 Q9HBX9 1/20 0.53
PKM P14618 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.53
MAPK10 P53779 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
SCHEMBL9196680 0.90 MEN1 (0.67) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL22281511 0.90 KMT2A (0.67) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL6218489 0.88 HPGD (0.65) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL6217417 0.87 SMN1; SMN2 (0.64) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL8345028 0.82 MEN1 (0.73) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6213198 0.82 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL6295507 0.81 MEN1 (1.00) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL6247549 0.80 MAPT (0.57) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL6511873 0.79 HPGD (0.52) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL9761035 0.79 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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 (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 KMT2A 3258/4885MEN1 4715/4885ALDH1A1 1357/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 KMT2A 2962/4885MEN1 1184/4885ALDH1A1 4241/4885

“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.