SCHEMBL4139239

SCHEMBL4139239

O=C(O)NCCc1cc(Br)c(Sc2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA3 P07451 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLK7 P49862 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL4131274 0.88 MTNR1A (0.41) CA2CA4MTNR1AMTNR1BMAPT
SCHEMBL2837809 0.85 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KMT2ALMNA
SCHEMBL4139232 0.74 HPGD (0.39) CA12CA9POLBTDP1NPC1
SCHEMBL3652851 0.73 POLB (0.34) CA2CA4CA12CA1CA3
SCHEMBL4126798 0.73 CA2 (0.38) CA2CA4CA12CA1CA3
SCHEMBL4125114 0.71 NPC1 (0.32) MTNR1AMTNR1BNPC1RAB9AKMT2A
SCHEMBL4132086 0.70 SMN1; SMN2 (0.37) POLBTDP1NPC1RAB9AALDH1A1
SCHEMBL3652855 0.69 POLB (0.35) CA2CA4CA12CA1CA3
SCHEMBL2839246 0.69 EDNRA (0.41) TDP1MTNR1AMTNR1BRAB9AALDH1A1
SCHEMBL7433359 0.69 CYP2A6 (0.53) CA2CA4CA12CA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 CA2 335/4885CA4 299/4885CA12 1740/4885

“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.