SCHEMBL3545276

SCHEMBL3545276

C1=C(c2ccc3oc4ccccc4c3c2)CC[N]C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
AHR P35869 2/20 0.38
CHEK2 O96017 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL2529850 0.77 MAPT (0.41) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL15835969 0.74 MAPT (0.63) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10478418 0.74 MAPT (0.63) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL2039941 0.74 MAPT (0.63) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL15835950 0.74 MAPT (0.63) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5584837 0.72 NISCH (0.42) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL24171975 0.72 MAPT (0.61) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL20706697 0.72 MAPT (0.61) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL26311700 0.72 MAPT (0.61) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL240095 0.72 SIGMAR1 (0.42) SMN1; SMN2KDM4EALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
US-7723349-B2 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION (US) 2010-05-25 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-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 MAPT 4566/4885SMN1; SMN2 2297/4885KDM4E 1268/4885

“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.