SCHEMBL10064276

SCHEMBL10064276

N=C(N)NCCOc1ccccc1-c1ccccc1OCCNC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ADRB2 P07550 4/20 0.44
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10064726 0.91 LMNA (0.43) LMNAMTNR1AMTNR1BKMT2AMEN1
SCHEMBL10064200 0.85 ALDH1A1 (0.41) LMNAMTNR1AMTNR1BKMT2AMEN1
SCHEMBL7448429 0.85 MTNR1A (0.67) LMNAMTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL10031011 0.83 F10 (0.48) LMNAKDM4EALDH1A1ADRB2HTT
SCHEMBL10064201 0.83 ALDH1A1 (0.40) LMNAMTNR1AMTNR1BKMT2AMEN1
Hydrochloric Acid SCHEMBL8541385 0.81 ADRA1A (0.46) LMNAMTNR1AMTNR1BKMT2AMEN1
SCHEMBL10310294 0.79 MTNR1A (0.59) MTNR1AMTNR1BPKMALDH1A1HPGD
Hydrochloric Acid SCHEMBL8207466 0.77 MTNR1A (0.57) MTNR1AMTNR1BPKMALDH1A1HPGD
SCHEMBL8585578 0.76 HTR1A (0.58) MTNR1AMTNR1BKMT2AALDH1A1HPGD
SCHEMBL14165125 0.75 ALDH1A1 (0.34) LMNAMTNR1AMTNR1BKMT2AMEN1

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-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2012-03-29 — — US disclosed
WO-2010097604-A2 NEW COMPOUNDS UCL BUSINESS PLC (GB) 2010-09-02 — — WO 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 LMNA 1729/4885MTNR1A 1911/4885MTNR1B 1938/4885

“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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