SCHEMBL4930211

SCHEMBL4930211

C(=NNc1ccccn1)c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.56
▸ GAA P10253 9/20 0.56
▸ NPC1 O15118 9/20 0.56
▸ MAPT P10636 8/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ HPGD P15428 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ATM Q13315 1/20 0.53
▸ MAPK1 P28482 1/20 0.49
▸ CASP3 P42574 1/20 0.49

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
SCHEMBL15267619 0.81 NPC1 (0.59) RAB9AGAANPC1MAPTNPSR1
SCHEMBL8977773 0.77 TNNI3 (0.58) RAB9AGAANPC1MAPTHTT
SCHEMBL8977771 0.77 TNNI3 (0.58) RAB9AGAANPC1MAPTHTT
SCHEMBL14005239 0.75 GAA (0.45) RAB9AGAANPC1MAPTNPSR1
SCHEMBL880473 0.72 MAPT (1.00) RAB9AGAANPC1MAPTNPSR1
SCHEMBL10957656 0.72 ALDH1A1 (0.61) RAB9AGAANPC1MAPTNPSR1
SCHEMBL6185354 0.72 ALDH1A1 (0.61) RAB9AGAANPC1MAPTNPSR1
SCHEMBL6185357 0.72 ALDH1A1 (0.61) RAB9AGAANPC1MAPTNPSR1
SCHEMBL4927052 0.71 PAX8 (0.70) RAB9AGAANPC1MAPTNPSR1
SCHEMBL8342118 0.71 PAX8 (0.65) RAB9AGAANPC1MAPTNPSR1

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
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
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 RAB9A 3484/4885GAA 3662/4885NPC1 4218/4885

“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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