SCHEMBL4492672

SCHEMBL4492672

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cc(F)ccc2Cl)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 3/20 0.53
SCD5 Q86SK9 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SCD O00767 5/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
PLA2G1B P04054 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL4504870 0.95 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E
SCHEMBL4509650 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E
Hydrochloric Acid SCHEMBL4512405 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E
SCHEMBL4504876 0.92 MRGPRX4 (0.49) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E
SCHEMBL4502765 0.88 SCD5 (0.54) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E
SCHEMBL4512227 0.88 SCD (0.60) ALDH1A1SMN1; SMN2SCD5SCD
SCHEMBL4507671 0.86 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E
SCHEMBL4505284 0.86 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2SCD5SCD
SCHEMBL4508426 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E
SCHEMBL4509100 0.85 SCD5 (0.54) ALDH1A1SMN1; SMN2MAPTSCD5KDM4E

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 ALDH1A1 1311/4885SMN1; SMN2 2075/4885MAPT 4022/4885

“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.