SCHEMBL541864

SCHEMBL541864

O=C(Nc1ccccc1NC1CCCCC1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
EPHX1 P07099 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CASP3 P42574 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.47
MAOB P27338 3/20 0.46
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
SGMS2 Q8NHU3 1/20 0.46
RCOR1 Q9UKL0 1/20 0.45

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
SCHEMBL15320793 0.83 ALOX15 (0.73) ALDH1A1EPHX1NPC1RAB9AMEN1
SCHEMBL5435137 0.82 ALDH1A1 (0.53) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL1424064 0.80 EPHX1 (0.84) ALDH1A1EPHX1RAB9AMEN1KMT2A
SCHEMBL2168813 0.80 ALDH1A1 (0.67) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL8393719 0.80 EPHX1 (0.84) ALDH1A1EPHX1RAB9AMEN1KMT2A
SCHEMBL2170012 0.80 ALDH1A1 (0.67) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL2169031 0.80 ALDH1A1 (0.67) ALDH1A1EPHX1MEN1KMT2AGAA
Bicarbonate SCHEMBL6203780 0.79 EPHX1 (0.82) ALDH1A1EPHX1RAB9AMEN1KMT2A
SCHEMBL7198149 0.79 EPHX1 (0.81) ALDH1A1EPHX1RAB9AMEN1KMT2A
SCHEMBL21843301 0.79 ALDH1A1 (0.64) ALDH1A1EPHX1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
WO-2010113458-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE ゼリア新薬工業株式会社 (JP) 2010-10-07 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-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 ALDH1A1 372/4885EPHX1 2142/4885NPC1 720/4885

“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.