SCHEMBL3057134

SCHEMBL3057134

COc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.74
NPC1 O15118 11/20 0.74
MAPT P10636 9/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
NR1H4 Q96RI1 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
S1PR1 P21453 1/20 0.74
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TPH1 P17752 2/20 0.57
PKM P14618 2/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.57

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
SCHEMBL20968228 0.95 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL17831085 0.87 KMT2A (0.62) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL6697420 0.85 NR1H4 (1.00) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL7291752 0.85 NR1H4 (1.00) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL12895918 0.85 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL3057492 0.84 RAB9A (0.74) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL26095707 0.84 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL29936657 0.84 RAB9A (0.74) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL16592531 0.84 RAB9A (0.74) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL13416230 0.84 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-09 US disclosed
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-11 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 (5 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-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 RAB9A 4715/4885NPC1 1749/4885MAPT 2752/4885
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection VNN1, NGLY1, NUCB2 RAB9A 4715/4885NPC1 1749/4885MAPT 2752/4885
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 RAB9A 4715/4885NPC1 1749/4885MAPT 2752/4885
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 RAB9A 4715/4885NPC1 1749/4885MAPT 2752/4885
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME SPOUT1, MRPL21, NPEPPS RAB9A 3902/4885NPC1 4451/4885MAPT 4847/4885

“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.