SCHEMBL18170928

SCHEMBL18170928

O=C1NCCc2c(-c3ccccc3)ccc([N+](=O)[O-])c21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.55
PARP11 Q9NR21 5/20 0.55
PARP1 P09874 4/20 0.46
PDE4B Q07343 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
CASP6 P55212 1/20 0.38
FBP1 P09467 1/20 0.37
PTPRC P08575 1/20 0.37
S100A4 P26447 1/20 0.37

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
SCHEMBL18170548 0.86 ALDH1A1 (0.46) PARP10PARP11TDP1ALDH1A1MAPT
SCHEMBL18170813 0.77 PARP10 (0.46) PARP10PARP11PARP1TDP1ALDH1A1
SCHEMBL18176928 0.77 PARP10 (0.60) PARP10PARP11PARP1PDE4B
SCHEMBL29777567 0.77 PARP10 (0.46) PARP10PARP11PARP1TDP1ALDH1A1
SCHEMBL30775395 0.74 PARP10 (0.39) PARP10PARP11MAPTHTTSMN1; SMN2
SCHEMBL7581608 0.71 PARP1 (0.57) PARP10PARP11PARP1TDP1MAPT
SCHEMBL4718488 0.71 ACHE (0.50) PARP10PARP11PARP1TDP1ALDH1A1
SCHEMBL9453357 0.70 SMN1; SMN2 (0.51) TDP1ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL18170862 0.69 KDR (0.56) PARP10PARP11PARP1PDE4B
SCHEMBL18170506 0.67 GSTP1 (0.47) PDE4BTDP1ALDH1A1MAPTHTT

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 5 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-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
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 PARP10 2327/4885PARP11 2557/4885PARP1 2518/4885

“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.