SCHEMBL13820085

SCHEMBL13820085

O=C1N=NC(=O)N1c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.56
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MAPT P10636 6/20 0.45
▸ POLB P06746 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ GRK2 P25098 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NOTUM Q6P988 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL18101274 0.95 CMA1 (0.51) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL18101271 0.95 CMA1 (0.51) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL18101221 0.95 CMA1 (0.51) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL18101266 0.95 CMA1 (0.51) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL28752534 0.80 CMA1 (0.58) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL29510602 0.80 CMA1 (0.58) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3192381 0.74 ALDH1A1 (0.58) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3192354 0.74 ALDH1A1 (0.58) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3188905 0.73 ALDH1A1 (0.54) CMA1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3194411 0.71 ALDH1A1 (0.84) CMA1NPC1RAB9AALDH1A1KMT2A

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-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 — — US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 — — 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-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH CMA1 276/4885NPC1 4884/4885RAB9A 2053/4885

“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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