SCHEMBL2369397

SCHEMBL2369397

CCCNC(=O)Nc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TRPV1 Q8NER1 2/20 0.43
GHSR Q92847 1/20 0.42
MAPT P10636 3/20 0.42
MMP2 P08253 1/20 0.41
KDR P35968 1/20 0.40
EPHX1 P07099 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
NAMPT P43490 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL443381 0.90 TRPV1 (0.44) KMT2AMEN1TRPV1GHSRMMP2
SCHEMBL2370528 0.83 TRPV1 (0.46) KMT2AMEN1TRPV1MAPTMMP2
SCHEMBL1016475 0.80 SMN1; SMN2 (0.45) KMT2AMEN1TRPV1MAPTALDH1A1
SCHEMBL3348070 0.79 KIF11 (0.45) KMT2AMEN1TRPV1MAPTALDH1A1
SCHEMBL2369624 0.79 EPHX1 (0.50) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4050500 0.78 KMT2A (0.60) KMT2AMEN1TRPV1MAPTEPHX1
SCHEMBL1832517 0.77 EPHX1 (0.57) KMT2AMEN1EPHX1ALDH1A1NPC1
SCHEMBL1991350 0.76 CYP17A1 (0.43) TRPV1NAMPT
SCHEMBL6610808 0.73 CYP17A1 (0.49) NAMPT
SCHEMBL3519257 0.73 TRPV1 (0.32) TRPV1ALDH1A1

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
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 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-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 KMT2A 1849/4885MEN1 572/4885TRPV1 4512/4885

“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.