SCHEMBL16756243

SCHEMBL16756243

C[C@H](c1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.58
MAPK1 P28482 1/20 0.58
MLKL Q8NB16 3/20 0.58
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.58
IDO1 P14902 1/20 0.58
TAAR1 Q96RJ0 1/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.49
ALOX12 P18054 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL3397595 1.00 ALPL (0.58) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL16756501 1.00 ALPL (0.58) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL2147079 0.89 ALDH1A1 (0.66) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL14770674 0.84 SMN1; SMN2 (0.56) MLKLALDH1A1POLBIDO1TAAR1
SCHEMBL6757248 0.83 TAAR1 (0.54) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL21473607 0.83 ALPL (0.56) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL29212596 0.82 MLKL (0.58) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL1349930 0.81 ALDH1A1 (0.61) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL699317 0.81 ALPL (0.42) ALPLMAPK1MLKLALDH1A1POLB
SCHEMBL694075 0.81 ALPL (0.42) ALPLMAPK1MLKLALDH1A1POLB

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 2 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA ALPL 1982/4885MAPK1 1185/4885MLKL 2001/4885

“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.