SCHEMBL7400452

SCHEMBL7400452

CC1(C)OCC(Cc2ccccc2)N1C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.40
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 4/20 0.38
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
DPP4 P27487 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL7400455 1.00 ABCB1 (0.41) ABCB1ALDH1A1HSD17B10KMT2ATMEM97
SCHEMBL7407270 0.77 ALDH1A1 (0.38) ABCB1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL7459888 0.77 ABCB1 (0.34) ABCB1ALDH1A1HSD17B10KMT2ATMEM97
SCHEMBL7407269 0.77 ALDH1A1 (0.38) ABCB1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL6541119 0.76 NAMPT (0.42) ABCB1ALDH1A1HSD17B10
SCHEMBL6541230 0.76 ALDH1A1 (0.39) ABCB1ALDH1A1HSD17B10TMEM97SIGMAR1
SCHEMBL6541124 0.76 NAMPT (0.42) ABCB1ALDH1A1HSD17B10
SCHEMBL6541226 0.76 ALDH1A1 (0.39) ABCB1ALDH1A1HSD17B10TMEM97SIGMAR1
SCHEMBL7691950 0.76 MAPT (0.42) ALDH1A1HSD17B10KMT2ACYP3A4HPGD
SCHEMBL7450616 0.76 L3MBTL1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 ABCB1 673/4885ALDH1A1 733/4885HSD17B10 853/4885

“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.