SCHEMBL13763519

SCHEMBL13763519

O=C(O)C(=O)C1CCCN1C(=O)CCCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
PREP P48147 1/20 0.54
NAAA Q02083 3/20 0.50
FAAH O00519 2/20 0.50
F2 P00734 1/20 0.50
FKBP1A P62942 1/20 0.49
ACE P12821 1/20 0.49

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
SCHEMBL8994558 1.00 MEN1 (0.56) MEN1NPC1RAB9AKMT2APREP
SCHEMBL5742769 0.90 ACE (0.60) MEN1NPC1RAB9AKMT2APREP
SCHEMBL5742774 0.90 ACE (0.60) MEN1NPC1RAB9AKMT2APREP
SCHEMBL7284941 0.88 MEN1 (0.54) MEN1NPC1RAB9AKMT2AF2
SCHEMBL10100244 0.88 MEN1 (0.54) MEN1NPC1RAB9AKMT2APREP
SCHEMBL10510787 0.85 ACE (0.58) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL7330019 0.85 MEN1 (0.63) MEN1NPC1RAB9AKMT2AACE
SCHEMBL5741647 0.85 MEN1 (0.63) MEN1NPC1RAB9AKMT2AACE
SCHEMBL5741652 0.85 MEN1 (0.63) MEN1NPC1RAB9AKMT2AACE
SCHEMBL10507846 0.84 ACE (0.59) MEN1NPC1RAB9AKMT2AFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827257-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-11-28 US disclosed
US-9750759-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-09-05 US disclosed
US-20150344454-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-20150342972-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-9187445-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2015-11-17 US disclosed
US-8710264-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-04-29 US disclosed
EP-2231633-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2013-10-30 EP disclosed
EP-2597091-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2013-05-29 EP disclosed
WO-2009080761-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 WO disclosed
WO-2009080769-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 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 (2 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-20150344454-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MEN1 221/4885NPC1 2414/4885RAB9A 1133/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MEN1 221/4885NPC1 2414/4885RAB9A 1133/4885

“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.