SCHEMBL6530665

SCHEMBL6530665

NC(=O)c1cccc(C(=O)OCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
KMT2A Q03164 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
FOLH1 Q04609 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8761237 0.89 TDP1 (0.69) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL181934 0.83 TDP1 (0.73) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL6274205 0.82 KMT2A (0.79) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL6553453 0.82 SMN1; SMN2 (0.63) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL312910 0.81 TDP1 (0.81) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL11703832 0.81 KMT2A (0.74) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL11777793 0.81 KMT2A (0.74) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL7451063 0.79 NR4A2 (0.70) KMT2AMEN1SMN1; SMN2RXRARXRB
SCHEMBL28151493 0.78 RAB9A (0.55) RAB9ANPC1KMT2ASLC6A2SLC6A3
SCHEMBL4852019 0.78 KMT2A (0.76) RAB9ANPC1KMT2ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 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 (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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 RAB9A 3944/4885NPC1 3219/4885KMT2A 2962/4885

“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.