SCHEMBL3701560

SCHEMBL3701560

CCOC(=O)c1cc(Sc2cccc(F)c2)n(-c2cccnc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.39
TP53 P04637 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37
ELANE P08246 1/20 0.37
CHRNA7 P36544 1/20 0.37
MAPT P10636 3/20 0.36
CSNK1D P48730 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
SLC34A1 Q06495 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL476490 0.92 ELANE (0.40) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL3692392 0.91 TP53 (0.45) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL476463 0.91 KMT2A (0.39) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL476348 0.90 CHRNA7 (0.42) THRBKDM4ETP53KMT2AMEN1
SCHEMBL3707491 0.90 TUBB4A (0.42) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL476396 0.86 TP53 (0.46) THRBKDM4ETP53KMT2AMEN1
SCHEMBL16333316 0.85 KMT2A (0.36) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL3701934 0.79 KMT2A (0.44) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL476340 0.79 TP53 (0.45) THRBKDM4ETP53KMT2AMEN1
SCHEMBL3700956 0.79 TP53 (0.53) THRBTP53KMT2AMEN1ALDH1A1

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 THRB 3537/4885KDM4E 3808/4885TP53 4668/4885

“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.