SCHEMBL6929424

SCHEMBL6929424

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 8/20 0.55
MEN1 O00255 6/20 0.55
POLB P06746 2/20 0.52
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 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
SCHEMBL6929421 1.00 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1POLBTP53
SCHEMBL6929458 0.89 NPC1 (0.57) KMT2AMEN1POLBMAPTTDP1
SCHEMBL6929457 0.89 NPC1 (0.57) KMT2AMEN1POLBMAPTTDP1
SCHEMBL6929929 0.86 MITF (0.59) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6929674 0.86 POLB (0.57) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6929932 0.86 MITF (0.59) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6929675 0.86 POLB (0.57) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6930113 0.86 NPC1 (0.61) KMT2AMEN1POLBMAPTUSP2
SCHEMBL6930112 0.86 NPC1 (0.61) KMT2AMEN1POLBMAPTUSP2
SCHEMBL6932582 0.85 NR1H4 (0.60) KMT2AMEN1POLBMAPTSMN1; SMN2

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 ALDH1A1 1135/4885KMT2A 4700/4885MEN1 3055/4885

“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.