SCHEMBL4131684

SCHEMBL4131684

CN(Cc1cc(Sc2ccc(Cl)nc2)n(-c2cc(F)ccc2F)n1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.34
KCNQ2 O43526 4/20 0.34
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
KCNE1 P15382 3/20 0.32
KCNQ1 P51787 3/20 0.32
CNR2 P34972 1/20 0.32
MDM2 Q00987 1/20 0.32
RIPK1 Q13546 1/20 0.31
AKR1B1 P15121 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
MAPK8 P45983 1/20 0.30
SMO Q99835 1/20 0.30

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
SCHEMBL4136934 0.93 KCNQ3 (0.32) KCNQ3KCNQ2HTR2CSLC6A4KCNE1
SCHEMBL4125525 0.93 CNR1 (0.35) KCNQ3KCNQ2HTR2CSLC6A4HTR2A
SCHEMBL4130351 0.92 HTR1A (0.32) HTR2CSLC6A4PTGDR2
SCHEMBL4130715 0.92 KCNQ3 (0.32) KCNQ3KCNQ2HTR2CSLC6A4KCNE1
SCHEMBL4123906 0.90 SPR (0.35) HTR2CSLC6A4RIPK1MAPK8SMO
SCHEMBL3699694 0.88 HTR2C (0.45) KCNQ3KCNQ2HTR2CSLC6A4HTR2A
SCHEMBL3812505 0.87 CNR2 (0.33) KCNQ3KCNQ2CNR2
SCHEMBL4127365 0.86 SCN9A (0.35) HTR2CSLC6A4
SCHEMBL4125749 0.86 HCRTR1 (0.31) HTR2CSLC6A4
SCHEMBL4126939 0.86 HTR2C (0.32) KCNQ3KCNQ2HTR2CSLC6A4

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 KCNQ3 4287/4885KCNQ2 3933/4885HTR2C 2565/4885

“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.