SCHEMBL10064201

SCHEMBL10064201

N=C(N)NCCOc1cccc(-c2ccc(-c3cccc(OCCNC(=N)N)c3OCCNC(=N)N)c(OCCNC(=N)N)c2OCCNC(=N)N)c1OCCNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ F10 P00742 2/20 0.36
▸ HTR1D P28221 2/20 0.35
▸ HTR1B P28222 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ HRH1 P35367 1/20 0.34

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
SCHEMBL10064200 0.97 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL10064726 0.93 LMNA (0.43) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL14165125 0.91 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL10064718 0.89 HPGD (0.34) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL10064385 0.84 KDM4E (0.38) ALDH1A1KDM4EHPGDLMNA
SCHEMBL10064294 0.83 HTT (0.38) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL14165306 0.83 LMNA (0.40) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL10064276 0.83 LMNA (0.49) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL18373292 0.82 KDM4E (0.36) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL13191221 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMTNR1AMTNR1B

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 ALDH1A1 3297/4885KDM4E 3544/4885HPGD 1273/4885

“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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