SCHEMBL6179724

SCHEMBL6179724

Nc1nnc(C(=O)OCc2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
KMT2A Q03164 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL27252995 0.84 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18612368 0.82 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL27433564 0.78 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19923805 0.78 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL26524186 0.77 ALDH1A1 (0.49) TDP1KMT2ASLC6A2SLC6A3HSD17B10
SCHEMBL27950121 0.75 TSHR (0.48) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18850878 0.75 TSHR (0.45) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL26524304 0.75 TP53 (0.47) TDP1KMT2ASLC6A2SLC6A3TP53
SCHEMBL26524124 0.75 FAAH (0.59) TDP1KMT2ASLC6A2SLC6A3TP53
SCHEMBL27458874 0.74 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3HSD17B10

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
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP 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-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 TDP1 1854/4885KMT2A 781/4885SLC6A2 3208/4885

“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.