SCHEMBL4517366

SCHEMBL4517366

Cc1cc(C)nc(NC(=O)c2ccc(CO)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.50
LCK P06239 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAPT P10636 6/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PRMT5 O14744 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
SORT1 Q99523 1/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5598057 0.81 ALDH1A1 (0.61) NPC1RAB9AKMT2ALCKMAPT
SCHEMBL4506664 0.79 LCK (0.50) NPC1RAB9AKMT2ALCKCHRNB2
SCHEMBL4507083 0.78 KMT2A (0.73) RAB9AKMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18027751 0.75 ALDH1A1 (0.65) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL5598444 0.74 NPC1 (0.57) NPC1RAB9AKMT2ALCKMAPT
SCHEMBL4495742 0.74 GRM5 (0.59) NPC1RAB9AKMT2ALCKCHRNB2
SCHEMBL14097068 0.72 LCK (0.66) NPC1RAB9AKMT2ALCKCHRNB2
SCHEMBL15045375 0.71 GRM5 (0.76) NPC1RAB9AKMT2ALCKCHRNB2
SCHEMBL12549340 0.71 CHRNB2 (0.58) NPC1RAB9AKMT2ALCKCHRNB2
SCHEMBL8664551 0.70 NPC1 (0.77) NPC1RAB9AKMT2AMAPTSMN1; SMN2

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 NPC1 57/4885RAB9A 3368/4885KMT2A 1109/4885

“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.