SCHEMBL4508657

SCHEMBL4508657

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCOC(CO)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TCF4 P15884 1/20 0.50
CTNNB1 P35222 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SCD5 Q86SK9 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
NAMPT P43490 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
CCR3 P51677 3/20 0.46

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
SCHEMBL4497031 0.86 TCF4 (0.47) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL4505025 0.85 ALDH1A1 (0.51) SMN1; SMN2LMNAMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL4505071 0.84 DRD4 (0.46) SMN1; SMN2LMNAMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL4502819 0.83 CCR3 (0.49) SMN1; SMN2LMNAMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL4513041 0.83 DRD4 (0.44) SMN1; SMN2LMNAMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4510281 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4512342 0.82 DRD4 (0.51) SMN1; SMN2LMNAMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4504696 0.82 TCF4 (0.46) SMN1; SMN2LMNAMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4503307 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4499863 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTRAB9ANPC1

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 2075/4885LMNA 247/4885MAPT 4022/4885

“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.