SCHEMBL15416042

SCHEMBL15416042

CCN(O)C(=O)c1[c]nccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.33
ALDH1A1 P00352 7/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 5/20 0.31
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3639242 0.80 ADRA1D (0.35) HTTTP53ALDH1A1HPGDHCRTR1
SCHEMBL12983825 0.77 SMN1; SMN2 (0.36) MAPTL3MBTL1HPGD
SCHEMBL2478084 0.74 LMNA (0.36) TP53ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL2592138 0.74 HPGD (0.40) TP53ALDH1A1L3MBTL1HPGDTSHR
SCHEMBL4279049 0.74
SCHEMBL333960 0.71
SCHEMBL1034150 0.70
SCHEMBL11732038 0.69 P2RX7 (0.46) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL1032794 0.69 ALDH1A1 (0.46) HTTALDH1A1L3MBTL1GLATSHR
SCHEMBL7747149 0.69 FFAR1 (0.34) HTTALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-9475820-B2 Substituted imidazo[1,2-a]pyrazines as TNF activity modulators UCB BIOPHARMA SPRL (BE) 2016-10-25 US disclosed
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2015-07-09 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2872511-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO 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 (2 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA HTT 1177/4885TP53 2886/4885ALDH1A1 317/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA HTT 1350/4885TP53 1145/4885ALDH1A1 1230/4885

“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.