SCHEMBL4496709

SCHEMBL4496709

O=C(O)Nc1ccc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CDK8 P49336 2/20 0.45
GRM5 P41594 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
SLC6A3 Q01959 1/20 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
SCHEMBL31132806 0.82 TEK (0.60) ABL1KDM4ECDK8
SCHEMBL30473406 0.82 HSD17B10 (0.49) ABL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL24932100 0.82 ALDH1A1 (0.55) ABL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL31132621 0.81 ABL1 (0.44) ABL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL15348810 0.81 KDM4E (0.54) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL24298066 0.80 FFAR2 (0.45) ABL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL31132794 0.77 ALDH1A1 (0.47) ABL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4074720 0.77 DEGS1 (0.55) RAB9ANPC1KMT2AMEN1GRM5
SCHEMBL18795091 0.76 TEK (0.49) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL16058723 0.76 GRM5 (0.48) RAB9ANPC1KMT2AMEN1CASP3

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 ABL1 920/4885KDM4E 249/4885RAB9A 3368/4885

“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.