SCHEMBL13384679

SCHEMBL13384679

N#Cc1cc2ccccc2n(-c2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ POLB P06746 2/20 0.45
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PLEC Q15149 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SCN2A Q99250 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ P2RX4 Q99571 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL13384714 0.86 ALDH1A1 (0.48) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384712 0.84 ALDH1A1 (0.39) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384728 0.84 ALDH1A1 (0.40) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384706 0.84 ALDH1A1 (0.40) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384715 0.84 ALDH1A1 (0.42) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384736 0.82 ALDH1A1 (0.43) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384727 0.81 HTT (0.51) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13384703 0.81 HTT (0.51) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL13384711 0.81 ALDH1A1 (0.38) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13384738 0.81 KAT2B (0.46) ALDH1A1POLBHTTLMNAMAPT

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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