SCHEMBL416898

SCHEMBL416898

NC(=O)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.55
FABP6 P51161 1/20 0.55
CHEK2 O96017 3/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SCD O00767 1/20 0.46
ESR1 P03372 1/20 0.45
XIAP P98170 1/20 0.44
ABCC4 O15439 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 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
SCHEMBL11306424 0.88 ALDH1A1 (0.54) ABL1FABP6ALDH1A1HPGDRAB9A
SCHEMBL28165968 0.85 TDP1 (0.46) CHEK2ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30732472 0.85 CHEK2 (0.47) CHEK2MAPT
SCHEMBL416899 0.82 ABL1 (0.78) ABL1FABP6CHEK2ALDH1A1HPGD
SCHEMBL19994450 0.81 CHEK2 (0.75) CHEK2MEN1KMT2A
Bromide SCHEMBL16324631 0.81 ABL1 (0.76) ABL1FABP6CHEK2ALDH1A1HPGD
SCHEMBL8954976 0.80 ABL1 (0.51) ABL1FABP6CHEK2ALDH1A1HPGD
SCHEMBL1380709 0.80 CHEK2 (0.81) CHEK2
SCHEMBL14432750 0.79 CHEK2 (0.50) ABL1CHEK2
SCHEMBL10466050 0.79 ALDH1A1 (0.54) ABL1FABP6CHEK2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 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 (6 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ABL1 957/4885FABP6 3867/4885CHEK2 1382/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 ABL1 1214/4885FABP6 3869/4885CHEK2 617/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 ABL1 1877/4885FABP6 3983/4885CHEK2 1429/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB ABL1 957/4885FABP6 3867/4885CHEK2 1382/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG ABL1 2448/4885FABP6 1613/4885CHEK2 4213/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 ABL1 1204/4885FABP6 3853/4885CHEK2 677/4885

“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.