SCHEMBL4499533

SCHEMBL4499533

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2cc(Cl)ccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.57
MAPT P10636 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
HPGD P15428 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
THRB P10828 1/20 0.56
ALDH1A1 P00352 6/20 0.54
TP53 P04637 1/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50

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 0.92 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL4492357 0.89 ALDH1A1 (0.58) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL4518579 0.88 ALDH1A1 (0.62) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL4504035 0.88 ALDH1A1 (0.59) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL4504870 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MAPTRAB9AHPGDALDH1A1
SCHEMBL4509888 0.86 ALDH1A1 (0.60) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL4506087 0.85 ALDH1A1 (0.68) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL4502685 0.84 ALDH1A1 (0.56) SMN1; SMN2MAPTRAB9AHPGDALDH1A1
SCHEMBL4515696 0.84 ALDH1A1 (0.56) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL4516512 0.84 ALDH1A1 (0.57) SMN1; SMN2MAPTNPC1RAB9AHPGD

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 2075/4885MAPT 4022/4885NPC1 57/4885

“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.