SCHEMBL4508325

SCHEMBL4508325

O=C(Nc1nc2ccccc2s1)c1cccc(COc2cc(Cl)ccc2Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 5/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
THRB P10828 1/20 0.61
ALDH1A1 P00352 3/20 0.60
TP53 P04637 1/20 0.60
MRGPRX4 Q96LA9 1/20 0.56
DHODH Q02127 3/20 0.56
SCD O00767 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CSNK1D P48730 2/20 0.54
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TOP1 P11387 2/20 0.50
KDM1A O60341 1/20 0.50

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
SCHEMBL4502413 0.81 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL4920234 0.80 SCD (0.73) RAB9ASMN1; SMN2NPC1DHODHSCD
SCHEMBL30582460 0.77 SCD (0.56) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL4917465 0.76 TOP1 (0.70) RAB9ASMN1; SMN2NPC1DHODHSCD
SCHEMBL8642176 0.75 SCD (0.65) RAB9ASMN1; SMN2NPC1DHODHSCD
SCHEMBL8642180 0.75 SCD (0.65) RAB9ASMN1; SMN2NPC1DHODHSCD
SCHEMBL4505850 0.75 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL4506893 0.75 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL4509901 0.75 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL30553332 0.74 NPC1 (0.78) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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 RAB9A 3368/4885SMN1; SMN2 2075/4885NPC1 57/4885

“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.