SCHEMBL3057263

SCHEMBL3057263

Oc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.61
S1PR1 P21453 1/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.55
NFKB1 P19838 4/20 0.55
NFKB2 Q00653 4/20 0.55
RELA Q04206 4/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PKM P14618 1/20 0.55
LTA4H P09960 1/20 0.55
NR1H2 P55055 1/20 0.55
BAX Q07812 1/20 0.55
RAB9A P51151 4/20 0.54
MCHR1 Q99705 1/20 0.54
TP53 P04637 2/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL5836424 0.97 NR1H4 (0.66) NR1H4S1PR1MAOAMAOBSMN1; SMN2
SCHEMBL20968213 0.91 NR1H4 (0.73) NR1H4S1PR1MAOAMAOBSMN1; SMN2
SCHEMBL20968212 0.88 NR1H4 (0.59) NR1H4S1PR1MAOAMAOBSMN1; SMN2
SCHEMBL3061782 0.87 NR1H4 (0.78) NR1H4S1PR1MAOBSMN1; SMN2NPC1
SCHEMBL2062609 0.87 NR1H4 (0.78) NR1H4S1PR1MAOBSMN1; SMN2NPC1
SCHEMBL20968228 0.87 RAB9A (0.68) NR1H4S1PR1SMN1; SMN2NPC1NFKB1
SCHEMBL20968216 0.87 PPARD (0.49) NR1H4S1PR1MAOAMAOBSMN1; SMN2
SCHEMBL3052350 0.87 NPC1 (0.62) NR1H4S1PR1MAOAMAOBSMN1; SMN2
SCHEMBL3068001 0.87 MMP13 (0.49) NR1H4S1PR1MAOAMAOBSMN1; SMN2
SCHEMBL20968197 0.87 MMP13 (0.49) NR1H4S1PR1MAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662164-B2 Non-beta lactam antibiotics UNIVERSITY OF NOTRE DAME DU LAC (US) 2020-05-26 US disclosed
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC 2019-05-02 US disclosed
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
WO-2009082398-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-07-02 WO disclosed
WO-2009082398-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-07-02 WO disclosed
WO-2009041972-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-04-02 WO disclosed
WO-2009041972-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-04-02 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 (3 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-10662164-B2 Non-beta lactam antibiotics OXA1L, O60361, CUTA NR1H4 2358/4885S1PR1 2372/4885MAOA 1607/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA NR1H4 2358/4885S1PR1 2372/4885MAOA 1607/4885
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME SPOUT1, MRPL21, NPEPPS NR1H4 2734/4885S1PR1 3905/4885MAOA 3267/4885

“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.