SCHEMBL3706032

SCHEMBL3706032

CCOC(=O)c1cc(Sc2ccc(Cl)nc2)n(-c2cccc(F)c2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PDE4B Q07343 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 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
SCHEMBL3700030 0.93 TP53 (0.41) TP53NPC1RAB9ASMN1; SMN2THRB
SCHEMBL3696333 0.93 TP53 (0.41) TP53NPC1RAB9ASMN1; SMN2THRB
SCHEMBL3694787 0.93 NPSR1 (0.45) TP53NPC1RAB9ASMN1; SMN2THRB
SCHEMBL3700531 0.89 MAPT (0.38) TP53NPC1RAB9ASMN1; SMN2THRB
SCHEMBL3699131 0.89 PDE4B (0.39) TP53NPC1RAB9ASMN1; SMN2THRB
SCHEMBL3702529 0.87 ALDH1A1 (0.44) TP53NPC1RAB9ASMN1; SMN2THRB
SCHEMBL3693337 0.87 MAPT (0.42) TP53LMNAALDH1A1HPGDKMT2A
SCHEMBL2838638 0.87 PDE4B (0.48) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3700293 0.86 MAPT (0.39) TP53NPC1RAB9ASMN1; SMN2THRB
SCHEMBL3692782 0.86 THRB (0.38) TP53NPC1RAB9ASMN1; SMN2THRB

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 4668/4885NPC1 53/4885RAB9A 167/4885

“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.