SCHEMBL6288801

SCHEMBL6288801

CN1C(=O)C(Cc2ccc(F)cc2)Cc2oc(C#CCc3ccccc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 3/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MMP13 P45452 1/20 0.34
MEN1 O00255 3/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL6289349 0.78 SCD (0.38) MAPTTSHRALDH1A1RAB9AMMP13
SCHEMBL6289334 0.76 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL6696796 0.73 RAB9A (0.38) MAPTTSHRKMT2AALDH1A1RAB9A
SCHEMBL6701922 0.70 SCD (0.36) MAPTTSHRRAB9AMMP13HTT
SCHEMBL6292111 0.69 MMP13 (0.36) MAPTTSHRKMT2AMMP13MEN1
SCHEMBL6289367 0.67 CES2 (0.38) MAPTGAAKMT2AALDH1A1MMP13
SCHEMBL6289351 0.67 MMP13 (0.35) MAPTTSHRKMT2AMMP13MEN1
SCHEMBL6289326 0.67 MMP13 (0.43) MMP13
SCHEMBL11684304 0.63 KMT2A (0.48) MAPTGAATSHRKMT2AALDH1A1
SCHEMBL6696589 0.63 MMP13 (0.56) KMT2AALDH1A1MMP13MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MAPT 4533/4885GAA 620/4885TSHR 4379/4885

“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.