SCHEMBL4130894

SCHEMBL4130894

CN(Cc1cc(Sc2cccc(F)c2)n(-c2cccnc2F)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3805129 0.87 HTR2C (0.45) SLC6A9L3MBTL1HTR2CSLC6A4TP53
SCHEMBL3703976 0.84 NOTUM (0.33) SLC6A9
SCHEMBL4130901 0.83 TP53 (0.34) SLC6A9L3MBTL1KMT2ACA2CA4
SCHEMBL16333316 0.81 KMT2A (0.36) SLC6A9L3MBTL1KMT2AHTTMEN1
SCHEMBL3707175 0.80 SLC6A9 (0.33) SLC6A9L3MBTL1CA2CA4HTT
SCHEMBL4120953 0.79 MAPT (0.34) SLC6A9L3MBTL1HTR2CSLC6A4HTT
SCHEMBL3702686 0.78 HTR6 (0.40) HTR2C
SCHEMBL4120305 0.78 MDM2 (0.36) KMT2AHTR2CSLC6A4HTT
SCHEMBL4119113 0.78 ALDH1A1 (0.33) HTR2CSLC6A4TP53MAPT
SCHEMBL4131517 0.78 GPBAR1 (0.33) L3MBTL1KMT2AHTR2CSLC6A4HTT

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 SLC6A9 2476/4885L3MBTL1 4714/4885KMT2A 4776/4885

“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.