SCHEMBL6933183

SCHEMBL6933183

O=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccccc2I)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
ATM Q13315 1/20 0.44
NR1H4 Q96RI1 3/20 0.43
FFAR1 O14842 1/20 0.43
BCAT2 O15382 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMO Q99835 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL6933185 1.00 MEN1 (0.58) MEN1KMT2ATDP1ATMNR1H4
SCHEMBL6926277 0.85 KMT2A (0.60) MEN1KMT2ATDP1ALDH1A1RAB9A
SCHEMBL6926276 0.85 KMT2A (0.60) MEN1KMT2ATDP1ALDH1A1RAB9A
SCHEMBL6931785 0.84 KMT2A (0.65) MEN1KMT2ATDP1NR1H4FFAR1
SCHEMBL6929457 0.84 NPC1 (0.57) MEN1KMT2ATDP1NR1H4FFAR1
SCHEMBL6929458 0.84 NPC1 (0.57) MEN1KMT2ATDP1NR1H4FFAR1
SCHEMBL6930098 0.83 NR1H4 (0.60) MEN1KMT2ANR1H4ALDH1A1RAB9A
SCHEMBL6933214 0.82 MAPT (0.64) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6933207 0.82 MAPT (0.64) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6932582 0.81 NR1H4 (0.60) MEN1KMT2ANR1H4SMN1; SMN2POLB

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 MEN1 3055/4885KMT2A 4700/4885TDP1 236/4885

“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.