SCHEMBL1707741

SCHEMBL1707741

COC(=O)c1cccc(Nc2cccc(C)c2N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
PTGS2 P35354 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
AKR1B10 O60218 1/20 0.50
TRPA1 O75762 1/20 0.50
ABCB11 O95342 1/20 0.50
DHFR P00374 1/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM1 P11229 1/20 0.50
CYP2C9 P11712 1/20 0.50
AKR1B1 P15121 1/20 0.50
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
HIF1A Q16665 1/20 0.50
NAPRT Q6XQN6 1/20 0.50

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
SCHEMBL1708324 0.85 CYP3A4 (0.65) LMNAPTGS2KMT2AMEN1AKR1B10
SCHEMBL1707753 0.84 ALDH1A1 (0.60) LMNAPTGS2KMT2AMEN1AKR1B10
SCHEMBL1707792 0.83 ALDH1A1 (0.51) LMNAPTGS2KMT2AMEN1AKR1B10
SCHEMBL29601872 0.81 ALDH1A1 (0.58) LMNAKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL228051 0.81 ALDH1A1 (0.58) LMNAKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL11344390 0.80 PTGS2 (0.71) LMNAPTGS2KMT2AMEN1AKR1B10
SCHEMBL30593451 0.80 PTGS2 (0.71) LMNAPTGS2KMT2AMEN1AKR1B10
SCHEMBL1708210 0.79 FFAR4 (0.52) LMNAFFAR4ALDH1A1CFTRHSD17B10
SCHEMBL524457 0.77 LMNA (0.53) LMNAPTGS2KMT2AMEN1AKR1B10
SCHEMBL1707847 0.77 LMNA (0.54) LMNAPTGS2KMT2AMEN1AKR1B10

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
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R LMNA 4537/4885PTGS2 2965/4885KMT2A 4170/4885

“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.