SCHEMBL4517523

SCHEMBL4517523

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(CNc2ccccc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
NAMPT P43490 2/20 0.52
SCD5 Q86SK9 3/20 0.52
SCD O00767 3/20 0.52
SSTR3 P32745 1/20 0.50
MAPK8 P45983 2/20 0.49
MAPK10 P53779 2/20 0.49
MAPK9 P45984 1/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
RIPK1 Q13546 1/20 0.49
GBA1 P04062 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4506545 0.84 SMN1; SMN2 (0.60) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4490664 0.83 ALDH1A1 (0.64) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4496819 0.81 ALDH1A1 (0.55) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4506087 0.80 ALDH1A1 (0.68) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4504035 0.79 ALDH1A1 (0.59) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4492357 0.78 ALDH1A1 (0.58) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4499533 0.78 SMN1; SMN2 (0.57) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4509888 0.78 ALDH1A1 (0.60) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4518579 0.78 ALDH1A1 (0.62) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL4509302 0.77 IDO1 (0.58) ALDH1A1MAPTLMNAMAPK1HTT

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 1311/4885MAPT 4022/4885LMNA 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.