SCHEMBL5717810

SCHEMBL5717810

NC(=O)c1nc2ccccc2n(CCO)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ MAPK1 P28482 2/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TP53 P04637 2/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ OGFRL1 Q5TC84 2/20 0.46

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
SCHEMBL5717623 0.87 ALDH1A1 (0.67) ALDH1A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL35211812 0.79 MAPT (0.56) ALDH1A1MAPTHTTMAPK1CASP1
SCHEMBL5208264 0.79 MAPT (0.56) ALDH1A1MAPTHTTMAPK1CASP1
SCHEMBL26110110 0.78 CASP1 (0.47) ALDH1A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL26110100 0.78 CASP1 (0.47) ALDH1A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL5547053 0.78 KDM4E (0.49) ALDH1A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL1122732 0.78 KDM4E (0.62) ALDH1A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL1963617 0.75 CFTR (0.68) ALDH1A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL8861179 0.74 ALDH1A1 (0.70) ALDH1A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL16146168 0.72 CNR2 (0.52) ALDH1A1CYP2C19MAPTCYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885CYP2C19 209/4885MAPT 3557/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885CYP2C19 209/4885MAPT 3557/4885

“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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