SCHEMBL6931350

SCHEMBL6931350

O=C(O)CCC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
KMT2A Q03164 7/20 0.58
MEN1 O00255 5/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 3/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NLRP1 Q9C000 1/20 0.58
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
CNR1 P21554 1/20 0.54
LMNA P02545 3/20 0.50
NLRP3 Q96P20 2/20 0.50
USP5 P45974 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NR4A2 P43354 1/20 0.50
EPHX1 P07099 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL6925253 0.89 TP53 (0.58) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL6931859 0.87 NR4A2 (0.63) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL392858 0.86 NR4A2 (0.65) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL6931407 0.84 KMT2A (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6932000 0.84 TP53 (0.60) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL6930410 0.84 KMT2A (0.74) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL6931395 0.83 TP53 (0.52) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL7857464 0.81 SMN1; SMN2 (0.72) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6929615 0.81 KMT2A (0.64) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL6931569 0.80 RAB9A (0.65) TP53KMT2AMEN1NPC1RAB9A

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 TP53 2228/4885KMT2A 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.