SCHEMBL6286436

SCHEMBL6286436

Cn1ccc(Nc2cccc(-c3ccccc3C#N)c2)c([N+](=O)[O-])c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ GABRA1 P14867 5/20 0.37
▸ GABRG2 P18507 5/20 0.37
▸ GABRB3 P28472 5/20 0.37
▸ GABRA2 P47869 4/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRA3 P34903 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ BCL6 P41182 1/20 0.36
▸ BCOR Q6W2J9 1/20 0.36
▸ BRDT Q58F21 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL4004456 0.83 BCL6 (0.39) ALDH1A1KDM4ESMN1; SMN2PKMGABRA1
SCHEMBL6283852 0.83 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2GABRA1GABRG2
SCHEMBL29642813 0.76 SIRT2 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL17940752 0.76 SIRT2 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL17940698 0.70 TDP1 (0.53) ALDH1A1KDM4ESMN1; SMN2PKMMAPT
SCHEMBL17947386 0.69 RAB9A (0.50) ALDH1A1SMN1; SMN2MAPT
SCHEMBL6280194 0.68 ARNT (0.39) ALDH1A1SMN1; SMN2PKMMAPTGAA
SCHEMBL17940724 0.66 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTGAABCL6
SCHEMBL29642940 0.66 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTGAABCL6
SCHEMBL17940890 0.66 KMT2A (0.42) ALDH1A1MAPTGAABCL6BCOR

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-6887885-B2 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands MERCK SHARP & DOHME LTD 2005-05-03 — — US disclosed
US-20040132767-A1 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-07-08 — — 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-20040132767-A1 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands GABRA1, GABRA2, GABRA3 ALDH1A1 863/4885KDM4E 3875/4885SMN1; SMN2 2569/4885

“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.

Send feedback