SCHEMBL2839636

SCHEMBL2839636

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.38
HSD17B2 P37059 3/20 0.38
NPC1 O15118 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B1 P14061 1/20 0.37
TP53 P04637 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL2838904 0.80 RORC (0.43) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL2839753 0.79 MEN1 (0.40) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4131558 0.78 AR (0.36) ALDH1A1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL10088516 0.76 CYP2A6 (0.44) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL25356536 0.72 HSD17B10 (0.50) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL2839638 0.71 FAAH (0.38) ALDH1A1RAB9ALMNAHPGDNPC1
SCHEMBL4139232 0.71 HPGD (0.39) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL4126794 0.70 CA12 (0.39) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL8751750 0.70 ALDH1A1 (0.55) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL25288501 0.70 AR (0.52) KMT2AALDH1A1RAB9ASMN1; SMN2L3MBTL1

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.