SCHEMBL2838907

SCHEMBL2838907

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.43
LMNA P02545 4/20 0.38
ALDH1A1 P00352 5/20 0.38
ADORA3 P0DMS8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ADORA2B P29275 2/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
ADORA1 P30542 2/20 0.36
ADORA2A P29274 2/20 0.36
POLB P06746 1/20 0.36
FAAH O00519 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
SCHEMBL2839235 0.78 RORC (0.47) RORCLMNAALDH1A1ADORA3SMN1; SMN2
Hydrochloric Acid SCHEMBL2840537 0.77 RORC (0.47) RORCLMNAALDH1A1ADORA3SMN1; SMN2
SCHEMBL2839757 0.74 ADAM17 (0.36) LMNANPSR1MAPTPOLBFAAH
SCHEMBL2838904 0.74 RORC (0.43) RORCLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7433359 0.69 CYP2A6 (0.53) RAB9AMEN1KMT2APOLBFAAH
SCHEMBL21842077 0.67 RORC (0.75) RORCLMNAMEN1KMT2AGAA
SCHEMBL975603 0.65 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL17807498 0.64 TRPV1 (0.53) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19212244 0.64 PTGDR2 (0.47) HPGD
SCHEMBL1728418 0.64 CNR1 (0.59) LMNAHTTMEN1KMT2AGAA

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 RORC 924/4885LMNA 3785/4885ALDH1A1 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.