SCHEMBL1076797

SCHEMBL1076797

NC(=O)C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.61
GOT1 P17174 4/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 1/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
MMP9 P14780 1/20 0.54
AANAT Q16613 1/20 0.54
MAPT P10636 3/20 0.54
FAAH O00519 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL3456819 0.86 KMT2A (0.57) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL3456815 0.86 KMT2A (0.57) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL349371 0.86 KMT2A (0.76) KMT2AMEN1GOT1TSHRMAPT
SCHEMBL8525238 0.81 MEN1 (0.57) KMT2AMEN1LMNATSHRBLM
SCHEMBL5281197 0.81 MEN1 (0.57) KMT2AMEN1LMNATSHRBLM
SCHEMBL29581685 0.79 KDM4E (0.65) KMT2AMEN1LMNATSHRBLM
SCHEMBL21641800 0.79 KDM4E (0.65) KMT2AMEN1LMNATSHRBLM
SCHEMBL21641799 0.79 KDM4E (0.65) KMT2AMEN1LMNATSHRBLM
SCHEMBL627038 0.78 MEN1 (0.74) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL31285794 0.78 KDM4E (0.60) KMT2AMEN1LMNATSHRBLM

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-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF KYOTO UNIVERSITY (JP) 2011-02-17 US disclosed
EP-2275433-A1 METASTIN DERIVATIVE AND USE THEREOF Kyoto University (JP) 2011-01-19 EP disclosed
WO-2009139298-A1 METASTIN DERIVATIVE AND USE THEREOF 国立大学法人京都大学 (JP) 2009-11-19 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-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF MEN1, HGF, STMN1 KMT2A 2963/4885MEN1 1/4885GOT1 2613/4885

“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.