SCHEMBL6924258

SCHEMBL6924258

O=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
MITF O75030 2/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 9/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
P4HTM Q9NXG6 1/20 0.54
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ATM Q13315 1/20 0.51
CCR5 P51681 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL6924260 1.00 KMT2A (0.60) KMT2AMEN1RAB9ANPC1MITF
SCHEMBL6924264 0.87 MEN1 (0.67) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6924266 0.87 MEN1 (0.67) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6924314 0.84 KMT2A (0.67) KMT2AMEN1RAB9ANPC1MITF
SCHEMBL6929457 0.84 NPC1 (0.57) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6929458 0.84 NPC1 (0.57) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6930112 0.82 NPC1 (0.61) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6929674 0.82 POLB (0.57) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6930113 0.82 NPC1 (0.61) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6929932 0.82 MITF (0.59) KMT2AMEN1RAB9ANPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 KMT2A 4700/4885MEN1 3055/4885RAB9A 2177/4885

“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.