SCHEMBL4505191

SCHEMBL4505191

Cc1cc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.68
THRB P10828 1/20 0.68
NPC1 O15118 11/20 0.64
RAB9A P51151 11/20 0.64
HPGD P15428 3/20 0.64
MAPT P10636 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 4/20 0.59
TP53 P04637 1/20 0.59
MRGPRX4 Q96LA9 3/20 0.58
ATM Q13315 1/20 0.53
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
GAA P10253 2/20 0.52
HDAC8 Q9BY41 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PTGER1 P34995 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL4506893 0.82 SMN1; SMN2 (0.68) SMN1; SMN2THRBNPC1RAB9AHPGD
SCHEMBL4505850 0.81 SMN1; SMN2 (0.67) SMN1; SMN2THRBNPC1RAB9AHPGD
SCHEMBL4518098 0.80 SMN1; SMN2 (0.68) SMN1; SMN2THRBNPC1RAB9AHPGD
SCHEMBL4509901 0.80 SMN1; SMN2 (0.66) SMN1; SMN2THRBNPC1RAB9AHPGD
SCHEMBL4502413 0.78 SMN1; SMN2 (0.68) SMN1; SMN2THRBNPC1RAB9AHPGD
Trifluoroacetic Acid SCHEMBL4516452 0.78 SMN1; SMN2 (0.63) SMN1; SMN2THRBNPC1RAB9AHPGD
Trifluoroacetic Acid SCHEMBL4508117 0.77 SMN1; SMN2 (0.61) SMN1; SMN2THRBNPC1RAB9AHPGD
SCHEMBL4510288 0.76 MRGPRX4 (0.74) SMN1; SMN2THRBNPC1RAB9AHPGD
SCHEMBL6339700 0.75 CCNA2 (0.82) SMN1; SMN2NPC1RAB9AATMCCNA2
SCHEMBL4502608 0.75 MRGPRX4 (1.00) SMN1; SMN2THRBNPC1RAB9AHPGD

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 2075/4885THRB 2175/4885NPC1 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.