SCHEMBL18176923

SCHEMBL18176923

CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
EPHX2 P34913 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 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
SCHEMBL18170903 0.89 FABP5 (0.44) KMT2AFABP5FABP7EPHX2CHRNB2
SCHEMBL21303581 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CHRNB2
SCHEMBL14079108 0.80 KMT2A (0.46) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30361215 0.79 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10201730 0.79 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10037319 0.78 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CHRNB2
SCHEMBL30584150 0.78 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CHRNB2
SCHEMBL12630038 0.76 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4214086 0.76 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30759382 0.76 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA KMT2A 1369/4885FABP5 2461/4885FABP7 764/4885

“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.