SCHEMBL4605992

SCHEMBL4605992

COC(=O)c1cccc(NCC(=O)CN)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
ALDH1A1 P00352 3/20 0.55
EGFR P00533 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 5/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 4/20 0.50
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
AGTR1 P30556 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4604254 0.87 EGFR (0.54) LOXL2ALDH1A1EGFRMAPK1HSD17B10
SCHEMBL2635975 0.85 EGFR (0.53) LOXL2ALDH1A1EGFRMAPK1HSD17B10
SCHEMBL4604566 0.85 EGFR (0.53) LOXL2ALDH1A1EGFRMAPK1HSD17B10
SCHEMBL8672958 0.83 RAB9A (0.60) LOXL2ALDH1A1EGFRMAPK1HSD17B10
SCHEMBL134016 0.83 EGFR (0.57) LOXL2ALDH1A1EGFRMAPK1HSD17B10
SCHEMBL7140531 0.81 ALDH1A1 (0.60) LOXL2ALDH1A1RAB9APOLBNPC1
SCHEMBL25174147 0.80 RAB9A (0.59) LOXL2ALDH1A1EGFRMAPK1HSD17B10
SCHEMBL30445248 0.80 RAB9A (0.59) LOXL2ALDH1A1EGFRMAPK1HSD17B10
SCHEMBL7467415 0.79 ALDH1A1 (0.66) LOXL2ALDH1A1RAB9ANPC1HPGD
SCHEMBL4603882 0.79 MAPK1 (0.47) LOXL2ALDH1A1EGFRMAPK1HSD17B10

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-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 LOXL2 2227/4885ALDH1A1 308/4885EGFR 3240/4885

“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.