SCHEMBL4605500

SCHEMBL4605500

O=C(CNc1cccc(C(=O)O)c1)CSc1ccccc1N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 1/20 0.40
PLAU P00749 1/20 0.40
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4606040 0.90 AKR1C3 (0.46) AKR1C3KMT2AMEN1NPC1RAB9A
SCHEMBL4603446 0.90 POLB (0.47) AKR1C3KMT2AMEN1NPC1RAB9A
SCHEMBL4606307 0.79 AKR1C3 (0.48) AKR1C3KMT2AMEN1NPC1RAB9A
SCHEMBL4603923 0.78 AKR1C3 (0.46) AKR1C3KMT2AMEN1NPC1RAB9A
SCHEMBL4617066 0.76 AKR1C3 (0.52) AKR1C3KMT2AMEN1NPC1RAB9A
SCHEMBL4606142 0.69 AKR1C3 (0.46) AKR1C3KMT2ANPC1RAB9AGAA
SCHEMBL4605194 0.69 ALDH1A1 (0.50) AKR1C3KMT2AMEN1NPC1RAB9A
SCHEMBL4603316 0.68 MAPK1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4604742 0.68 KDM4E (0.46) AKR1C3KMT2AMEN1NPC1GAA
SCHEMBL4604101 0.68 AKR1C3 (0.45) AKR1C3KMT2AMEN1NPC1RAB9A

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 3 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
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

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 246/4885KMT2A 3945/4885MEN1 313/4885

“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.