SCHEMBL2172089

SCHEMBL2172089

[CH]1NCC=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.32
ALOX15 P16050 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLA2G10 O15496 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2422050 0.65 SIGMAR1 (0.50) SIGMAR1HTR2CALDH1A1
Biphenyl SCHEMBL29008551 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
Biphenyl SCHEMBL28890607 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
SCHEMBL29560186 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
Biphenyl SCHEMBL4002609 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
SCHEMBL30629023 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
Biphenyl SCHEMBL1358618 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
Biphenyl SCHEMBL2548048 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
SCHEMBL30108088 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10
Biphenyl SCHEMBL164 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9AHSD17B10

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-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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 (3 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 SIGMAR1 3327/4885HTR2C 2401/4885ALDH1A1 673/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 SIGMAR1 3239/4885HTR2C 2239/4885ALDH1A1 415/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 SIGMAR1 3105/4885HTR2C 2380/4885ALDH1A1 497/4885

“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.