SCHEMBL10031005

SCHEMBL10031005

C/N=C(\NC)NCCOc1cccc(-c2ccccc2OCCN/C(=N/C)NC)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.47
▸ ADRB2 P07550 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 2/20 0.40
▸ ADRB1 P08588 1/20 0.39

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
SCHEMBL14165113 0.85 MTNR1A (0.36) KDM4EALDH1A1MEN1KMT2AMTNR1A
SCHEMBL14165191 0.82 LMNA (0.42) KDM4ESMN1; SMN2HTTL3MBTL1PKM
SCHEMBL10031011 0.79 F10 (0.48) KDM4EADRB2ALDH1A1SMN1; SMN2HTT
SCHEMBL10064286 0.75 PDK2 (0.45) KDM4EALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL14165034 0.70 KDM4E (0.34) KDM4EADRB2ALDH1A1L3MBTL1MTNR1A
SCHEMBL14669731 0.66 MAPK1 (0.54) KDM4EHTTL3MBTL1
SCHEMBL11023137 0.66 PTPRC (0.44) KDM4EADRB2L3MBTL1GAAMEN1
SCHEMBL12993182 0.66 HTR1B (0.70) KDM4EALDH1A1SMN1; SMN2
SCHEMBL14165193 0.65 F10 (0.41) ALDH1A1MTNR1AMTNR1B
SCHEMBL11017667 0.65 MAPK1 (0.49) KDM4EADRB2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2012-03-29 — — 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-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS CFTR, GNB1, GMPS KDM4E 3544/4885ADRB2 180/4885ALDH1A1 3297/4885

“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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