SCHEMBL4509901

SCHEMBL4509901

O=C(Nc1cnccn1)c1cccc(COc2cc(Cl)ccc2Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.66
RAB9A P51151 7/20 0.66
NPC1 O15118 6/20 0.66
HPGD P15428 4/20 0.66
MAPT P10636 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
THRB P10828 1/20 0.65
ALDH1A1 P00352 4/20 0.61
TP53 P04637 1/20 0.61
MRGPRX4 Q96LA9 2/20 0.60
KMT2A Q03164 4/20 0.55
LRRK2 Q5S007 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 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
SCHEMBL4505850 0.82 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1HPGDMAPT
Trifluoroacetic Acid SCHEMBL4516452 0.82 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1HPGDMAPT
Trifluoroacetic Acid SCHEMBL4505140 0.80 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL4505191 0.80 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL4506893 0.80 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1HPGDMAPT
Trifluoroacetic Acid SCHEMBL4502618 0.79 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT
Trifluoroacetic Acid SCHEMBL4511157 0.78 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL4502413 0.78 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1HPGDMAPT
Trifluoroacetic Acid SCHEMBL4505683 0.77 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL4502608 0.76 MRGPRX4 (1.00) SMN1; SMN2RAB9ANPC1HPGDMAPT

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