SCHEMBL2404909

SCHEMBL2404909

CC(C)c1cc(C(C)C)c(C(=O)Nc2ccc(C(=O)O)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MITF O75030 1/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 3/20 0.43
FFAR1 O14842 1/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NHERF1 O14745 1/20 0.41
CYP26A1 O43174 2/20 0.41
CYP3A4 P08684 2/20 0.41
RARA P10276 2/20 0.41
CYP1A2 P05177 1/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL2405027 0.87 NPC1 (0.48) MEN1KMT2ANPC1HTTLMNA
SCHEMBL2405678 0.76 NHERF1 (0.50) MEN1KMT2AMITFNPC1GAA
SCHEMBL2403427 0.76 HCAR3 (0.43)
SCHEMBL8458561 0.76 MEN1 (0.61) MEN1KMT2AMITFNPC1GAA
SCHEMBL2405170 0.74 MEN1 (0.44) MEN1KMT2AMITFNPC1GAA
SCHEMBL8458858 0.73 HTT (0.57) MEN1KMT2AMITFNPC1GAA
SCHEMBL2404558 0.71 MEN1 (0.48) MEN1KMT2AMITFNPC1GAA
SCHEMBL7822088 0.71 MEN1 (0.58) MEN1KMT2AMITFNPC1GAA
SCHEMBL9944064 0.70 PKM (0.54) MEN1KMT2AMITFNPC1GAA
SCHEMBL2406820 0.70 NPC1 (0.53) MEN1KMT2AMITFNPC1GAA

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-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB MEN1 1614/4885KMT2A 2788/4885MITF 694/4885

“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.