SCHEMBL4515696

SCHEMBL4515696

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2ccccc2C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MRGPRX4 Q96LA9 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
NAMPT P43490 1/20 0.50
RIPK1 Q13546 3/20 0.49
SCD O00767 4/20 0.49
SCD5 Q86SK9 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 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
SCHEMBL4502685 0.90 ALDH1A1 (0.56) ALDH1A1MRGPRX4LMNAMAPTMAPK1
SCHEMBL4504035 0.89 ALDH1A1 (0.59) ALDH1A1MRGPRX4LMNAMAPTMAPK1
SCHEMBL4506545 0.89 SMN1; SMN2 (0.60) ALDH1A1MRGPRX4LMNAMAPTMAPK1
SCHEMBL4492919 0.88 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL4509888 0.88 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL4506087 0.87 ALDH1A1 (0.68) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL4516512 0.85 ALDH1A1 (0.57) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL4499533 0.84 SMN1; SMN2 (0.57) ALDH1A1MRGPRX4LMNAMAPTMAPK1
SCHEMBL4492357 0.83 ALDH1A1 (0.58) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL4517018 0.83 SCD (0.53) ALDH1A1LMNAMAPTMAPK1HTT

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 ALDH1A1 1311/4885MRGPRX4 1550/4885LMNA 247/4885

“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.