SCHEMBL15680321

SCHEMBL15680321

CCc1c[nH]c2cc(O)c(O)c(Cl)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ SRC P12931 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ HTR2C P28335 3/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ DAO P14920 2/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ DDO Q99489 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL15680198 0.83 EGFR (0.36) EGFRSRCDAOADRA1AHTR2B
SCHEMBL17191942 0.78 GABRA1 (0.36) EGFRSRCDAOADRA1A
SCHEMBL17191898 0.78 CFTR (0.34) EGFRSRCCFTRDAOADRA1A
SCHEMBL17193029 0.74 POLB (0.39) EGFRCFTR
SCHEMBL17191883 0.72 POLB (0.43) CFTR
SCHEMBL19426103 0.72 ALOX5 (0.38) EGFRCFTR
SCHEMBL17193110 0.69 EGFR (0.34) EGFRSRCHTR2CHTR2AHTR2B
SCHEMBL15670966 0.68 ALDH1A1 (0.43) SRCDAO
SCHEMBL15680420 0.68 CYP1A2 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15680402 0.68 HTR2A (0.35) EGFRSRCHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 — — US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 — — 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-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 GPR17 4458/4885EGFR 553/4885HTR1A 4535/4885

“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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