SCHEMBL4516495

SCHEMBL4516495

O=C(Nc1cnccn1)c1ccc(CCl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CHRNB2 P17787 1/20 0.60
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA4 P43681 1/20 0.60
TSHR P16473 3/20 0.53
KDM4E B2RXH2 4/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL21931945 0.82 KMT2A (0.63) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL4507767 0.81 RAB9A (0.76) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL4868622 0.80 KMT2A (0.74) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL18398726 0.80 KMT2A (0.74) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL29409256 0.80 KMT2A (0.74) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL29016187 0.80 KMT2A (0.74) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL45148 0.80 KMT2A (0.73) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL30533391 0.78 KMT2A (0.71) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL29238994 0.78 KMT2A (0.71) KMT2ANPC1RAB9ATP53MAPT
SCHEMBL17539392 0.78 KMT2A (0.51) KMT2ANPC1RAB9AMAPTSMN1; SMN2

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 KMT2A 1109/4885NPC1 57/4885RAB9A 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.