SCHEMBL4604566

SCHEMBL4604566

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 4/20 0.50
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
AGTR1 P30556 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 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

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) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL2635975 0.85 EGFR (0.53) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL4605992 0.85 LOXL2 (0.55) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL134016 0.83 EGFR (0.57) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL8672958 0.83 RAB9A (0.60) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL25174147 0.80 RAB9A (0.59) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL30445248 0.80 RAB9A (0.59) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL131787 0.79 ALDH1A1 (0.64) HSD17B10RAB9APOLBALDH1A1NPC1
SCHEMBL23518403 0.78 RAB9A (0.59) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL8569963 0.78 RAB9A (0.58) EGFRMAPK1HSD17B10RAB9APOLB

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 EGFR 3240/4885MAPK1 1616/4885HSD17B10 783/4885

“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.