SCHEMBL4491985

SCHEMBL4491985

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.62
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
PTGER1 P34995 2/20 0.48
KMO O15229 1/20 0.48
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL4509663 0.87 MRGPRX4 (0.62) MRGPRX4SMN1; SMN2NPC1RAB9ATP53
SCHEMBL4510719 0.85 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4492301 0.84 MRGPRX4 (0.50) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4507699 0.84 MRGPRX4 (0.83) MRGPRX4CYP4F2CYP4A11PTGER1KDM5A
SCHEMBL4497112 0.79 MRGPRX4 (0.72) MRGPRX4SMN1; SMN2NPC1RAB9ATP53
SCHEMBL4500253 0.78 RXRA (0.63) MRGPRX4NPC1RAB9ACYP4F2CYP4A11
Hydrochloric Acid SCHEMBL4498398 0.78 SMN1; SMN2 (0.48) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4507587 0.77 SMN1; SMN2 (0.59) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4498318 0.77 MRGPRX4 (0.64) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4502608 0.77 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1

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 2075/4885NPC1 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.