SCHEMBL21332709

SCHEMBL21332709

O=C(NCCc1ccc(Oc2ccncc2)cc1)c1c(O)cc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
SLC5A1 P13866 2/20 0.44
SLC5A2 P31639 2/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MMP1 P03956 1/20 0.42
CYP3A4 P08684 4/20 0.41
MAPK14 Q16539 4/20 0.41
MMP13 P45452 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41

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
SCHEMBL21332569 0.94 HIF1A (0.44) RAB9AHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL21332541 0.88 EPHX1 (0.43) RAB9ASMN1; SMN2EPHX2KMT2ACYP3A4
SCHEMBL21332630 0.88 SLC5A1 (0.42) SLC5A1SLC5A2EPHX2KMT2AALDH1A1
SCHEMBL21332561 0.87 KMT2A (0.53) RAB9AHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL21332776 0.87 PLAAT3 (0.55) RAB9ASMN1; SMN2SLC5A1SLC5A2NPC1
SCHEMBL21332469 0.86 SLC5A1 (0.61) RAB9ASMN1; SMN2SLC5A1SLC5A2KMT2A
SCHEMBL21332550 0.86 MAPT (0.56) RAB9ASMN1; SMN2NPC1EPHX2KMT2A
SCHEMBL21346281 0.86 EPHX2 (0.55) RAB9ASMN1; SMN2SLC5A1SLC5A2NPC1
SCHEMBL21332514 0.86 LTA4H (0.55) RAB9ASMN1; SMN2SLC5A1SLC5A2NPC1
SCHEMBL21346280 0.85 KMT2A (0.40) HDAC2SLC5A1SLC5A2EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-07 US disclosed
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-07 US disclosed
US-20210017126-A1 Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-01-21 US disclosed
US-20210017126-A1 Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-01-21 US disclosed
WO-2019173507-A1 ANTIBACTERIAL AGENTS : ARYLALKYLCARBOXAMIDO PHLOROGLUCINOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-09-12 WO disclosed
WO-2019173507-A1 ANTIBACTERIAL AGENTS : ARYLALKYLCARBOXAMIDO PHLOROGLUCINOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-09-12 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-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RNGTT, FBL, POLR1C RAB9A 4138/4885HDAC2 673/4885HDAC8 171/4885
US-20210017126-A1 Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols RNGTT, FBL, POLR1C RAB9A 4138/4885HDAC2 673/4885HDAC8 171/4885

“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.