SCHEMBL4130908

SCHEMBL4130908

CN(Cc1cc(Sc2ccccn2)n(-c2ccccc2Cl)n1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 13/20 0.46
SLC16A1 P53985 12/20 0.46
RIPK1 Q13546 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
APOBEC3A P31941 1/20 0.35
PDE7A Q13946 1/20 0.34
HTT P42858 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
SCHEMBL4125824 0.87 SLC16A3 (0.38) SLC16A3SLC16A1HTR2CSLC6A4
SCHEMBL3696583 0.87 HTR2C (0.51) SLC16A3SLC16A1HTR2CSLC6A4
SCHEMBL3701337 0.86 SLC16A3 (0.36) SLC16A3SLC16A1HTR2CSLC6A4HTT
SCHEMBL3708988 0.85 SLC16A3 (0.40) SLC16A3SLC16A1HTR2CSLC6A4HTT
SCHEMBL3697422 0.84 SLC16A3 (0.40) SLC16A3SLC16A1HTR2CSLC6A4
SCHEMBL4140873 0.83 SLC16A3 (0.40) SLC16A3SLC16A1RIPK1HTR2CSLC6A4
SCHEMBL4128944 0.82 SLC16A3 (0.38) SLC16A3SLC16A1HTR2CSLC6A4MEN1
SCHEMBL2838662 0.82 SLC16A3 (0.38) SLC16A3SLC16A1HTR2CSLC6A4MEN1
SCHEMBL4132125 0.81 SLC16A3 (0.40) SLC16A3SLC16A1HTR2CSLC6A4ALDH1A1
SCHEMBL4134984 0.80 SLC16A3 (0.36) SLC16A3SLC16A1HTR2CSLC6A4ALDH1A1

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 3 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
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO 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 SLC16A3 2809/4885SLC16A1 2925/4885RIPK1 4203/4885

“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.