SCHEMBL11301753

SCHEMBL11301753

Cc1ccc(C(=O)O)c(N=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.43
▸ GABRD O14764 2/20 0.43
▸ GABRA1 P14867 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ GABRA4 P48169 2/20 0.43
▸ GABRE P78334 2/20 0.43
▸ GABRA6 Q16445 2/20 0.43
▸ GABRG1 Q8N1C3 2/20 0.43
▸ GABRG3 Q99928 2/20 0.43
▸ GABRQ Q9UN88 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ ACLY P53396 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 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
SCHEMBL11293274 0.80 MAPT (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29625359 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL262422 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11303186 0.77 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28545196 0.76 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
Nitrous Acid SCHEMBL27969683 0.76 EGFR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9355817 0.75 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL181362 0.75 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30174186 0.75 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13348980 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487486-B2 Derivatives of nicotinic acid N-oxide, their preparation and their use as inhibitors of enzyme 3-hydroxyanthranilate-3, 4-dioxygenase UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-11-08 — — US disclosed
US-20160052886-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE UNIVERSITY OF MARYLAND, BALTIMORE 2016-02-25 — — US disclosed
US-9260394-B2 Derivatives of nicotinic acid N-oxide, their preparation and their use as inhibitors of enzyme 3-hydroxyanthranilate-3, 4-dioxygenase UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-16 — — US disclosed
US-20130289081-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE UNIVERSITA' DEGLI DI PARMA (IT) 2013-10-31 — — US disclosed
WO-2012097869-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE UNIVERSITA' DEGLI STUDI DI PARMA (IT) 2012-07-26 — — 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-20160052886-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE HAAO, NQO2, HAO1 GABRP 1621/4885GABRD 1404/4885GABRA1 956/4885
US-20130289081-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE HAAO, NQO2, HAO1 GABRP 1621/4885GABRD 1404/4885GABRA1 956/4885

“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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