SCHEMBL4515098

SCHEMBL4515098

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
IDO1 P14902 1/20 0.57
LMNA P02545 4/20 0.53
NAMPT P43490 2/20 0.52
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
TAS2R8 Q9NYW2 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
SCD5 Q86SK9 1/20 0.49
TCF4 P15884 1/20 0.49
CTNNB1 P35222 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 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
SCHEMBL4509302 0.92 IDO1 (0.58) HDAC1HDAC6IDO1LMNANAMPT
SCHEMBL7834456 0.76 CYP11B1 (0.75) HDAC1HDAC6IDO1LMNAALDH1A1
SCHEMBL18805043 0.76 CYP11B1 (0.75) HDAC1HDAC6IDO1LMNAALDH1A1
SCHEMBL9304316 0.76 HDAC1 (0.66) HDAC1HDAC6IDO1LMNAALDH1A1
SCHEMBL12850040 0.75 HDAC6 (1.00) HDAC1HDAC6IDO1LMNASMN1; SMN2
SCHEMBL4283175 0.75 NAMPT (0.69) NAMPTALDH1A1SMN1; SMN2MAPTTAS2R8
SCHEMBL9303096 0.74 HDAC1 (0.61) HDAC1HDAC6IDO1LMNAALDH1A1
SCHEMBL4511949 0.74 HDAC1 (0.70) HDAC1HDAC6IDO1LMNASMN1; SMN2
SCHEMBL4507749 0.74 HDAC1 (0.66) HDAC1HDAC6IDO1LMNASMN1; SMN2
SCHEMBL4490664 0.74 ALDH1A1 (0.64) LMNANAMPTALDH1A1SMN1; SMN2MAPT

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 HDAC1 940/4885HDAC6 3583/4885IDO1 714/4885

“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.