SCHEMBL4603316

SCHEMBL4603316

COC(=O)c1cccc(NCC(=O)CSc2ccccc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 6/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
AGTR1 P30556 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HIF1A Q16665 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4605155 0.84 POLB (0.51) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL4603882 0.79 MAPK1 (0.47) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL4605992 0.79 LOXL2 (0.55) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL4604254 0.77 EGFR (0.54) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL2635975 0.76 EGFR (0.53) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL4604566 0.76 EGFR (0.53) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL134016 0.74 EGFR (0.57) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL8672958 0.74 RAB9A (0.60) MAPK1HSD17B10RAB9AALDH1A1EGFR
SCHEMBL4617066 0.74 AKR1C3 (0.52) HSD17B10RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8569963 0.72 RAB9A (0.58) MAPK1HSD17B10RAB9AALDH1A1EGFR

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 MAPK1 1616/4885HSD17B10 783/4885RAB9A 2143/4885

“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.