SCHEMBL2839638

SCHEMBL2839638

O=C(O)NCCc1cc(-c2ccccc2)c(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 4/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
PTGS2 P35354 1/20 0.36
HDAC7 Q8WUI4 2/20 0.35
KLK7 P49862 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 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
SCHEMBL2838907 0.80 RORC (0.43) FAAHHPGDNPC1RAB9AALDH1A1
SCHEMBL2839757 0.78 ADAM17 (0.36) FAAHHIF1AMAPTLMNATP53
SCHEMBL4131563 0.77 NAPRT (0.35) NPC1RAB9A
SCHEMBL10088516 0.76 CYP2A6 (0.44) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL7433359 0.72 CYP2A6 (0.53) FAAHRAB9AHDAC7HDAC1HDAC6
SCHEMBL25356536 0.72 HSD17B10 (0.50) HPGDRAB9AALDH1A1LMNAHDAC1
SCHEMBL2839636 0.71 MEN1 (0.43) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL4139239 0.71 CA2 (0.37) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL4126798 0.70 CA2 (0.38) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL21382308 0.70 GAA (0.45) HPGDNPC1RAB9AALDH1A1MAPT

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 FAAH 520/4885HPGD 138/4885NPC1 713/4885

“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.