SCHEMBL4504477

SCHEMBL4504477

CCC(Cn1cc(NC(=O)c2cc(COc3ccccc3Cl)ccn2)cn1)OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SCD O00767 8/20 0.40
SCD5 Q86SK9 8/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL4504473 0.88 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1SCDSCD5KMT2A
Trifluoroacetic Acid SCHEMBL4508314 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1SCDSCD5KMT2A
SCHEMBL4493419 0.82 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1SCDSCD5KMT2A
SCHEMBL4499452 0.81 SCD5 (0.43) SMN1; SMN2ALDH1A1SCDSCD5MRGPRX4
SCHEMBL4505284 0.81 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1SCDSCD5
Hydrochloric Acid SCHEMBL4508956 0.81 SCD5 (0.52) SMN1; SMN2ALDH1A1SCDSCD5KMT2A
SCHEMBL23241871 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1SCDSCD5KMT2A
SCHEMBL4501251 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1SCDSCD5KMT2A
Hydrochloric Acid SCHEMBL4512405 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1SCDSCD5KMT2A
SCHEMBL4507518 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1SCDSCD5KMT2A

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 2075/4885ALDH1A1 1311/4885SCD 1/4885

“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.