SCHEMBL4492301

SCHEMBL4492301

CCOC(=O)c1cc(COc2cc(Cl)ccc2Cl)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ANO1 Q5XXA6 1/20 0.42
NOTUM Q6P988 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL4517687 0.87 MAPT (0.63) MRGPRX4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4499409 0.86 MRGPRX4 (0.63) MRGPRX4NPC1RAB9AMAPTALDH1A1
SCHEMBL4491985 0.84 MRGPRX4 (0.62) MRGPRX4SMN1; SMN2THRBNPC1RAB9A
SCHEMBL4504246 0.81 MRGPRX4 (0.56) MRGPRX4NPC1RAB9AMAPTLMNA
SCHEMBL4508058 0.81 MAOB (0.51) NPC1RAB9AGABRA2GABRB2
SCHEMBL743661 0.79 L3MBTL1 (0.58) NPC1RAB9AMAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL4217802 0.78 L3MBTL1 (0.56) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL4499558 0.77 MRGPRX4 (0.50) MRGPRX4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19697788 0.77 MRGPRX4 (0.51) MRGPRX4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4507587 0.76 SMN1; SMN2 (0.59) MRGPRX4SMN1; SMN2THRBNPC1RAB9A

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 MRGPRX4 1550/4885SMN1; SMN2 2075/4885THRB 2175/4885

“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.