SCHEMBL3701140

SCHEMBL3701140

CCOC(=O)c1cc(Sc2ccccc2)n(-c2c(F)cccc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
THRB P10828 1/20 0.48
KMT2A Q03164 5/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA9 Q16790 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX12 P18054 1/20 0.41

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
SCHEMBL3700956 0.89 TP53 (0.53) TP53THRBKMT2AGAAMAPT
SCHEMBL3692392 0.81 TP53 (0.45) TP53THRBKMT2AGAAMAPT
SCHEMBL3693335 0.81 TUBB4A (0.46) TP53THRBKMT2AGAAMAPT
SCHEMBL3700705 0.79 TP53 (0.53) TP53THRBKMT2AGAAMAPT
SCHEMBL3693332 0.79 TP53 (0.53) TP53THRBKMT2AGAAMAPT
SCHEMBL3695514 0.77 TP53 (0.52) TP53THRBKMT2AGAAMAPT
SCHEMBL3701934 0.77 KMT2A (0.44) TP53THRBKMT2AGAAMAPT
SCHEMBL3702529 0.76 ALDH1A1 (0.44) TP53THRBKMT2AGAAMAPT
SCHEMBL3694787 0.76 NPSR1 (0.45) TP53THRBKMT2AGAAMAPT
SCHEMBL2838319 0.76 THRB (0.43) TP53THRBKMT2AGAAMAPT

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 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
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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 4668/4885THRB 3537/4885KMT2A 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.