SCHEMBL5607617

SCHEMBL5607617

Cc1ccc(Oc2ccccc2C(=N)NN)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
MRGPRX1 Q96LB2 1/20 0.41
KCNMA1 Q12791 2/20 0.39
CTSD P07339 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A4 P31645 1/20 0.35
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5606529 0.87 IDO1 (0.44) IDO1TDO2MRGPRX1KCNMA1NPC1
SCHEMBL7546534 0.77 CA1 (0.48) IDO1TDO2SLC6A4MAPT
SCHEMBL5607286 0.77 IDO1 (0.40) IDO1TDO2KCNMA1SLC6A4
SCHEMBL5607714 0.76 RECQL (0.43) IDO1TDO2MRGPRX1KCNMA1HTT
SCHEMBL5607049 0.76 AR (0.42) MRGPRX1
SCHEMBL6951987 0.75 CTSD (0.62) CTSDNPC1RAB9A
SCHEMBL10292484 0.74 TRPA1 (0.56) HSP90AA1MAPT
SCHEMBL5607173 0.74 ALDH1A1 (0.56) IDO1TDO2SLC6A4MAPT
Iodide SCHEMBL10754021 0.74 CTSD (0.61) CTSDNPC1RAB9A
SCHEMBL5606780 0.70 TTR (0.51) KCNMA1HSP90AA1MAPT

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
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 EP claimed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 US claimed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 WO claimed
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 EP disclosed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 US disclosed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 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 (1 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-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents TYR, NFE2L2, CYP1A1 IDO1 1513/4885TDO2 115/4885MRGPRX1 2817/4885

“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.