SCHEMBL19449470

SCHEMBL19449470

COc1cc(NC(=O)NC(C)C)cc(CO)c1CO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ C5 P01031 2/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20402962 0.78 ALDH1A1 (0.55) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL12932742 0.71 KMT2A (0.64) KMT2AMEN1GAACYP3A4CYP2C9
SCHEMBL12233628 0.71 PDE4A (0.41) CYP3A4CYP2C9CYP2C19
SCHEMBL15171954 0.69 MAPT (0.45) KMT2AMEN1GAACYP3A4CYP2C9
SCHEMBL12703969 0.68 PDE4A (0.44) CYP3A4
SCHEMBL26973723 0.68 SCN5A (0.45) TAS1R3TAS1R1CYP2C19
SCHEMBL5180344 0.68 MMP2 (0.42) FPR2CYP2C9CYP2C19CA12CA1
SCHEMBL13304417 0.68 TAS1R3 (0.49) KMT2AMEN1TAS1R3TAS1R1
SCHEMBL13304426 0.68 TP53 (0.51) KMT2AMEN1GAA
SCHEMBL10364679 0.68 HSD17B10 (0.42) KMT2AMEN1GAACA12CA1

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-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 — — US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 — — 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE FPR2 4179/4885KMT2A 3066/4885MEN1 3514/4885
US-10028938-B2 Antiviral agents and uses thereof RNASE1, ENTPD5, ACE FPR2 4179/4885KMT2A 3066/4885MEN1 3514/4885

“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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