SCHEMBL4507572

SCHEMBL4507572

O=C(Nc1ccsc1C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPK8 P45983 5/20 0.53
MAPK10 P53779 5/20 0.53
PTPN1 P18031 2/20 0.53
PTPN2 P17706 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
MAPK9 P45984 3/20 0.51
ABCC1 P33527 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOB P27338 1/20 0.48
MGLL Q99685 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL4493393 0.88 MAPK8 (0.68) CASP3NPC1RAB9AMAPK8MAPK10
SCHEMBL4509748 0.81 ABCC1 (0.61) NPC1RAB9AMAPK8MAPK10PTPN1
SCHEMBL2233522 0.77 NPC1 (0.69) CASP3NPC1RAB9APTPN1ABCC1
SCHEMBL20303095 0.77 ABCC1 (0.54) NPC1RAB9AMAPK8MAPK10PTPN1
SCHEMBL288676 0.75 CFD (0.60) NPC1RAB9AMAPK8MAPK10PTPN1
SCHEMBL11564307 0.75 NPC1 (0.51) CASP3NPC1RAB9AMAPK8HDAC3
SCHEMBL11564309 0.75 NPC1 (0.62) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL7351218 0.75 POLB (0.57) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL747058 0.74 KDM4E (0.60) NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7268166 0.74 MAOB (0.61) CASP3NPC1RAB9APTPN1HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS CASP3 389/4885NPC1 57/4885RAB9A 3368/4885

“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.