SCHEMBL4504753

SCHEMBL4504753

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cc(C(F)(F)F)ccc2F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 5/20 0.48
LRRK2 Q5S007 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SCD5 Q86SK9 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SRPK3 Q9UPE1 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 3/20 0.46
USP2 O75604 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAPT P10636 2/20 0.45
SCD O00767 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2B6 P20813 2/20 0.44

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
SCHEMBL4504876 0.93 MRGPRX4 (0.49) SMN1; SMN2ALDH1A1LRRK2KDM4ESCD5
SCHEMBL4502765 0.88 SCD5 (0.54) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
SCHEMBL4508842 0.87 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
SCHEMBL4492919 0.86 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
SCHEMBL4504870 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
SCHEMBL4509650 0.84 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
SCHEMBL4492672 0.84 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
Hydrochloric Acid SCHEMBL4512405 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
SCHEMBL4496073 0.80 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1
SCHEMBL4508426 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ESCD5MEN1

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 1311/4885LRRK2 949/4885

“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.