SCHEMBL6929675

SCHEMBL6929675

O=C(O)CCC(=NO)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 5/20 0.50
P4HTM Q9NXG6 2/20 0.50
NT5E P21589 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
NAMPT P43490 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
PRMT1 Q99873 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL6929674 1.00 POLB (0.57) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL6929458 0.89 NPC1 (0.57) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6929457 0.89 NPC1 (0.57) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL28120571 0.87 ALOX15 (0.47) POLBSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6930112 0.86 NPC1 (0.61) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL6929932 0.86 MITF (0.59) POLBNPC1RAB9AKMT2AP4HTM
SCHEMBL6929424 0.86 ALDH1A1 (0.56) POLBSMN1; SMN2LMNARAB9AKMT2A
SCHEMBL6929929 0.86 MITF (0.59) POLBNPC1RAB9AKMT2AP4HTM
SCHEMBL6929421 0.86 ALDH1A1 (0.56) POLBSMN1; SMN2LMNARAB9AKMT2A
SCHEMBL6930113 0.86 NPC1 (0.61) POLBSMN1; SMN2LMNANPC1RAB9A

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 POLB 237/4885SMN1; SMN2 208/4885LMNA 569/4885

“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.