SCHEMBL4516161

SCHEMBL4516161

O=C(Nc1cnn(CCCCF)c1)c1cc(COc2ccc(F)cc2Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
SCD5 Q86SK9 4/20 0.41
SCD O00767 3/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4501251 0.91 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL4515634 0.89 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL4509650 0.89 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1KMT2ASCD5
SCHEMBL23241876 0.88 KMT2A (0.52) SMN1; SMN2ALDH1A1KMT2ATDP1SCD5
SCHEMBL4504925 0.87 SMN1; SMN2 (0.43) MAPTSMN1; SMN2ALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL4517307 0.87 KMT2A (0.51) SMN1; SMN2ALDH1A1KMT2ATDP1SCD5
Hydrochloric Acid SCHEMBL4517235 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1SCD5SCD
SCHEMBL4507518 0.82 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL4492672 0.81 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1KMT2ASCD5
SCHEMBL4493419 0.81 SMN1; SMN2 (0.52) MAPTSMN1; SMN2ALDH1A1KMT2ASCD5

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 MAPT 4022/4885SMN1; SMN2 2075/4885ALDH1A1 1311/4885

“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.