SCHEMBL12713530

SCHEMBL12713530

O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.58
▸ KDM4E B2RXH2 8/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 6/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ PKM P14618 1/20 0.58
▸ NPC1 O15118 10/20 0.57
▸ ATM Q13315 1/20 0.57
▸ MMP2 P08253 2/20 0.56
▸ MMP9 P14780 2/20 0.56
▸ MMP8 P22894 2/20 0.56
▸ MMP13 P45452 2/20 0.56
▸ APP P05067 1/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ GLA P06280 2/20 0.47
▸ HCRTR1 O43613 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ ALOX15 P16050 2/20 0.44

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
SCHEMBL25028313 0.85 ILK (0.49) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL25028187 0.79 MMP2 (0.46) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL10025480 0.74 RAB9A (1.00) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL11497248 0.74 MMP2 (0.55) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL16689142 0.73 NPC1 (0.70) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL27490376 0.73 MMP2 (0.40) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL7811413 0.72 IDO1 (0.50) RAB9ANPC1MMP2MMP9MMP8
SCHEMBL31712298 0.72 RAB9A (0.58) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL3053833 0.72 APP (0.60) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL1992041 0.72 APP (1.00) RAB9AKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617249-B2 Benzoheterocyclic anti-bacterial agents UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-04-11 — — US disclosed
US-9617249-B2 Benzoheterocyclic anti-bacterial agents UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-04-11 — — US disclosed
US-20130143841-A1 BENZOHETEROCYCLIC ANTI-BACTERIAL AGENTS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-06-06 — — US disclosed
US-20130143841-A1 BENZOHETEROCYCLIC ANTI-BACTERIAL AGENTS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-06-06 — — US disclosed
US-8362268-B2 Anti-bacterial agents from benzo[d]heterocyclic scaffolds for prevention and treatment of multidrug resistant bacteria UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-01-29 — — US disclosed
US-8362268-B2 Anti-bacterial agents from benzo[d]heterocyclic scaffolds for prevention and treatment of multidrug resistant bacteria UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-01-29 — — US disclosed
US-20110086817-A1 ANTI-BACTERIAL AGENTS FROM BENZO[D]HETEROCYCLIC SCAFFOLDS FOR PREVENTION AND TREATMENT OF MULTIDRUG RESISTANT BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-04-14 — — US disclosed
WO-2009158118-A2 ANTI-BACTERIAL AGENTS FROM BENZO[D]HETEROCYCLIC SCAFFOLDS FOR PREVENTION AND TREATMENT OF MULTIDRUG RESISTANT BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-12-30 — — 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-20110086817-A1 ANTI-BACTERIAL AGENTS FROM BENZO[D]HETEROCYCLIC SCAFFOLDS FOR PREVENTION AND TREATMENT OF MULTIDRUG RESISTANT BACTERIA SBDS, PYCARD, AAAS RAB9A 2088/4885KDM4E 780/4885ALDH1A1 2252/4885
US-20130143841-A1 BENZOHETEROCYCLIC ANTI-BACTERIAL AGENTS MRPL21, BCOR, BCR RAB9A 2505/4885KDM4E 749/4885ALDH1A1 1985/4885

“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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