SCHEMBL4140877

SCHEMBL4140877

Cc1cc(Sc2cc(CCNC(=O)O)nn2-c2ccccc2Cl)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.38
SLC16A1 P53985 3/20 0.38
RIPK1 Q13546 1/20 0.36
MAPT P10636 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NR3C2 P08235 1/20 0.35
PDE4B Q07343 1/20 0.34
FTO Q9C0B1 1/20 0.34
MAPK1 P28482 2/20 0.34
P2RX7 Q99572 1/20 0.34
GCK P35557 1/20 0.34
USP2 O75604 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
SCHEMBL3708990 0.89 P2RX7 (0.39) SLC16A3SLC16A1RIPK1MAPTALDH1A1
SCHEMBL4132130 0.89 SLC16A3 (0.38) SLC16A3SLC16A1RIPK1MAPTALDH1A1
SCHEMBL4128953 0.85 P2RX7 (0.37) SLC16A3SLC16A1MAPTALDH1A1CNR1
SCHEMBL2838664 0.85 SMN1; SMN2 (0.38) SLC16A3SLC16A1RIPK1MAPTCNR1
SCHEMBL4130915 0.84 SLC16A3 (0.41) SLC16A3SLC16A1RIPK1ALDH1A1CNR1
SCHEMBL4140873 0.84 SLC16A3 (0.40) SLC16A3SLC16A1RIPK1ALDH1A1CNR1
SCHEMBL4134986 0.83 SMN1; SMN2 (0.36) SLC16A3SLC16A1MAPTALDH1A1CNR1
SCHEMBL3701339 0.83 LMNA (0.36) SLC16A3SLC16A1MAPTALDH1A1CNR1
SCHEMBL4125828 0.82 P2RX7 (0.39) SLC16A3SLC16A1RIPK1MAPTALDH1A1
SCHEMBL4135345 0.81 P2RX7 (0.36) SLC16A3SLC16A1MAPTCNR1SMN1; SMN2

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 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.