SCHEMBL13384741

SCHEMBL13384741

N#Cc1c(N)c2ccccc2n(-c2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ POLB P06746 2/20 0.54
▸ HTT P42858 3/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ PLEC Q15149 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PKM P14618 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ P2RX4 Q99571 1/20 0.40
▸ IKBKB O14920 1/20 0.39

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
SCHEMBL13384687 0.85 ALDH1A1 (0.48) ALDH1A1POLBHTTCA1CA2
SCHEMBL13384759 0.85 ALDH1A1 (0.51) ALDH1A1POLBHTTCA1CA2
SCHEMBL13384763 0.85 ALDH1A1 (0.48) ALDH1A1POLBHTTCA1CA2
SCHEMBL26127364 0.84 HPGD (0.48) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL30608109 0.84 HPGD (0.48) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384745 0.84 ALDH1A1 (0.50) ALDH1A1POLBHTTCA1CA2
SCHEMBL13384746 0.79 ALDH1A1 (0.46) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL3107098 0.75 ATM (0.55) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL29525910 0.75 ATM (0.55) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384761 0.75 ALDH1A1 (0.64) ALDH1A1POLBMEN1KMT2ALMNA

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-20100087649-A1 QUINOLINONE DERIVATIVES TIBOTEC BVBA (BE) 2010-04-08 — — US disclosed
WO-2008037784-A1 QUINOLINONE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-03 — — 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 (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-20100087649-A1 QUINOLINONE DERIVATIVES CHRM1, CYP2C8, CCR8 ALDH1A1 784/4885POLB 3018/4885HTT 1181/4885

“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.

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