SCHEMBL4130901

SCHEMBL4130901

O=C(O)NCCc1cc(Sc2cccc(F)c2)n(-c2cccnc2F)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 2/20 0.32
SLC6A9 P48067 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL3703976 0.84 NOTUM (0.33) SLC6A9NOTUM
SCHEMBL4130894 0.83 SLC6A9 (0.36) TP53CA2CA4MAPTKMT2A
SCHEMBL16333316 0.81 KMT2A (0.36) MAPTLMNAKMT2ASLC6A9KDM4E
SCHEMBL3707175 0.80 SLC6A9 (0.33) TP53CA2CA4MAPTLMNA
SCHEMBL4120239 0.79 HTR6 (0.40) L3MBTL1
SCHEMBL4120959 0.78 MAPT (0.34) TP53MAPTLMNA
SCHEMBL4131521 0.78 ATM (0.37) TP53LMNAP2RX7KMT2AMEN1
SCHEMBL4120313 0.78 MDM2 (0.38) TP53MAPTLMNAP2RX7KMT2A
SCHEMBL4119116 0.78 ATM (0.35) TP53MAPTLMNAP2RX7
SCHEMBL3701560 0.77 THRB (0.46) TP53MAPTLMNAKMT2AKDM4E

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 TP53 4668/4885CA2 335/4885CA4 299/4885

“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.