SCHEMBL3580000

SCHEMBL3580000

O=c1oc(=O)n(CC2CC2)c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.44
NOS1 P29475 4/20 0.44
NOS2 P35228 4/20 0.44
IDO1 P14902 3/20 0.43
TMEM97 Q5BJF2 3/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
KMO O15229 1/20 0.39
MDM2 Q00987 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1397544 0.80 PTGER4 (0.52) NOS3NOS1NOS2IDO1MAPT
SCHEMBL5259729 0.80 DHFR (0.46) MAPK1KDM4EHPGD
SCHEMBL3923355 0.77 MAPK9 (0.44)
SCHEMBL5535346 0.76 IDO1 (0.54) NOS3NOS1NOS2IDO1KMT2A
SCHEMBL2117902 0.75 MAT2A (0.42) NOS3NOS1NOS2IDO1KMT2A
SCHEMBL19086552 0.75 MAPT (0.39) MAPT
SCHEMBL6689039 0.74 NPC1 (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL3929699 0.74 IDO1 (0.60) IDO1KMT2AHTTALDH1A1
SCHEMBL6232591 0.74 NOS3 (0.41) NOS3NOS1NOS2IDO1TMEM97
SCHEMBL10036738 0.74 IDO1 (0.55) IDO1KMT2AHTTALDH1A1LMNA

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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC NOS3 4232/4885NOS1 3908/4885NOS2 2896/4885

“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.