SCHEMBL4504665

SCHEMBL4504665

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCC(COc2ccccc2Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TCF4 P15884 1/20 0.49
CTNNB1 P35222 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.46
NAMPT P43490 2/20 0.46
HTT P42858 2/20 0.45
CCR3 P51677 1/20 0.44
MAPK1 P28482 2/20 0.44
SCD O00767 2/20 0.43
SCD5 Q86SK9 2/20 0.43
MGLL Q99685 1/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4505528 0.95 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
SCHEMBL4518279 0.87 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
SCHEMBL4504697 0.86 TCF4 (0.50) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
SCHEMBL4505025 0.86 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
SCHEMBL4499571 0.82 TCF4 (0.54) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
SCHEMBL4497031 0.78 TCF4 (0.47) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
SCHEMBL4500281 0.78 TCF4 (0.53) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
Hydrochloric Acid SCHEMBL4505071 0.78 DRD4 (0.46) SMN1; SMN2ALDH1A1TCF4CTNNB1LMNA
SCHEMBL4496434 0.78 LOXL2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL4513041 0.77 DRD4 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTHTT

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 2 patents. 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 claimed
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 1311/4885TCF4 3626/4885

“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.