SCHEMBL3632804

SCHEMBL3632804

C=NNc1ccc(C(=O)O)nc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 18/20 0.53
▸ P4HA1 P13674 1/20 0.48
▸ MIF P14174 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3621496 0.77 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL9621696 0.76 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL26049197 0.73 P4HTM (0.62) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL21416495 0.73 P4HTM (0.54) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL3621493 0.73 P4HTM (0.63) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL69566 0.73 P4HTM (0.63) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL13954312 0.72 P4HTM (0.61) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL31548546 0.72 P4HTM (0.58) P4HTM
SCHEMBL18405340 0.71 P4HTM (0.60) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL30112058 0.71 P4HTM (0.60) P4HTMP4HA1MIFKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171635-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK BIOSCIENCES, INC. (US) 2014-06-19 — — US disclosed
US-8541555-B2 Hydrazone-based and oxime-based fluorescent and chromophoric/pro-fluorescent and pro-chromophoric reagents and linkers SOLULINK BIOSCIENCES, INC. (US) 2013-09-24 — — US disclosed
EP-2150858-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS Solulink, INC. (US) 2010-02-10 — — EP disclosed
WO-2008140452-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK, INC. (US) 2008-11-20 — — WO disclosed
US-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids AUDAX PRIVATE DEBT LLC, AS AGENT 2008-09-11 — — 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 (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-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids RRP12, MRPS22, HBG2 P4HTM 1296/4885P4HA1 1302/4885MIF 4683/4885

“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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