SCHEMBL7028010

SCHEMBL7028010

COC(=O)N(C)c1ccc(C(CCNCc2ccccc2)c2ccc(N(C)C(=O)OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.60
KMT2A Q03164 13/20 0.60
MITF O75030 2/20 0.48
GPR55 Q9Y2T6 3/20 0.47
MAPK1 P28482 3/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CNR1 P21554 2/20 0.47
LMNA P02545 2/20 0.47
CNR2 P34972 1/20 0.47
GPR35 Q9HC97 1/20 0.47
XBP1 P17861 1/20 0.47
CASR P41180 1/20 0.44
TP53 P04637 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7028927 0.85 MEN1 (0.55) MEN1KMT2AMITFGPR55MAPK1
SCHEMBL7027208 0.83 MEN1 (0.53) MEN1KMT2AMITFGPR55MAPK1
SCHEMBL7023844 0.80 CASR (0.43) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL7024447 0.78 MEN1 (0.67) MEN1KMT2AATM
SCHEMBL6321985 0.77 MEN1 (0.56) MEN1KMT2AMITFGPR55MAPK1
Hydrochloric Acid SCHEMBL7027322 0.76 MEN1 (0.55) MEN1KMT2AMITFGPR55MAPK1
SCHEMBL6322828 0.76 MEN1 (0.86) MEN1KMT2AMITFGPR55MAPK1
SCHEMBL2091346 0.75 LMNA (0.47) MEN1KMT2AMAPK1LMNASMN1; SMN2
SCHEMBL17221926 0.75 MEN1 (1.00) MEN1KMT2AMITFGPR55MAPK1
SCHEMBL3641265 0.74 KCNH2 (0.69) MEN1KMT2AMITFCNR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 MEN1 4166/4885KMT2A 3486/4885MITF 1949/4885

“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.