SCHEMBL2453189

SCHEMBL2453189

CN(c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(N)cn1.CN(c1cccc(NC(=O)C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
BAZ1A Q9NRL2 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2453021 0.94 L3MBTL1 (0.43) L3MBTL1BAZ1ARAB9AMEN1KMT2A
SCHEMBL2454628 0.90 L3MBTL1 (0.47) L3MBTL1RAB9AMEN1KMT2AMAPT
SCHEMBL2452649 0.78 ALDH1A1 (0.47) L3MBTL1RAB9AMEN1KMT2AHTT
SCHEMBL2457208 0.73 KDR (0.37) L3MBTL1HTTMAPT
SCHEMBL2455971 0.71 L3MBTL1 (0.42) L3MBTL1RAB9AMEN1KMT2AMAPT
SCHEMBL27520964 0.70 L3MBTL1 (0.59) L3MBTL1RAB9AMEN1KMT2AHTT
SCHEMBL14267699 0.70 KMT2A (0.69) L3MBTL1RAB9AMEN1KMT2AHTT
SCHEMBL6814707 0.66 CYP1A2 (0.66) L3MBTL1RAB9AMEN1KMT2AHTT
SCHEMBL2453229 0.66 KDR (0.51) RAB9AMEN1KMT2ACASP3SENP7
SCHEMBL3138660 0.65 TDP1 (0.53) RAB9AMEN1KMT2AMAPTPOLB

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-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 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-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 L3MBTL1 3976/4885BAZ1A 227/4885RAB9A 1543/4885

“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.