SCHEMBL4606307

SCHEMBL4606307

O=C(CNc1cccc(C(=O)O)c1)COc1ccccc1N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MITF O75030 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DAPK1 P53355 1/20 0.44
PIM3 Q86V86 1/20 0.44
ATM Q13315 2/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL4605194 0.90 ALDH1A1 (0.50) AKR1C3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL4606142 0.90 AKR1C3 (0.46) AKR1C3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL4603923 0.84 AKR1C3 (0.46) AKR1C3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL4605500 0.79 AKR1C3 (0.48) AKR1C3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL4603675 0.78 AKR1C3 (0.54) AKR1C3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL4604968 0.78 AKR1C3 (0.54) AKR1C3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL4605138 0.78 L3MBTL1 (0.54) AKR1C3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL4604349 0.76 AKR1C3 (0.52) AKR1C3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL4603689 0.76 SMN1; SMN2 (0.53) AKR1C3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL4606890 0.75 RAB9A (0.61) AKR1C3NPC1RAB9ASMN1; SMN2MITF

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 AKR1C3 246/4885NPC1 2040/4885RAB9A 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.