SCHEMBL2839753

SCHEMBL2839753

CN(Cc1cc(-c2ccccc2)c(C(O)c2ccccc2)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B2 P37059 3/20 0.35
GAA P10253 1/20 0.35
TACR1 P25103 1/20 0.34
HSD17B1 P14061 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2839636 0.79 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2838904 0.75 RORC (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL8751750 0.67 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL25242278 0.63 RAB9A (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL180384 0.63 NPC1 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL4583626 0.63 AOC3 (0.61) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL973792 0.62 HDAC1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL976364 0.62 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B2
SCHEMBL4139232 0.62 HPGD (0.39) MEN1KMT2ASMN1; SMN2HPGDTDP1
SCHEMBL4126794 0.61 CA12 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162798-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-04-14 EP disclosed
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R MEN1 3284/4885KMT2A 4103/4885ALDH1A1 2505/4885

“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.