SCHEMBL3283152

SCHEMBL3283152

NC(=O)CNC(=O)Cc1c(C(=O)O)n(Cc2cccc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 4/20 0.41
ALOX15 P16050 1/20 0.40
PTGER2 P43116 1/20 0.40
F10 P00742 1/20 0.40
FOLH1 Q04609 2/20 0.39
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL3277290 0.90 KMT2A (0.45) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3277096 0.88 KMT2A (0.44) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3276720 0.87 POLB (0.46) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3275749 0.86 MEN1 (0.46) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3275766 0.85 PTGDR2 (0.53) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3282573 0.84 KDM4E (0.52) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3280953 0.83 KMT2A (0.47) KMT2APOLBPTGDR2CYP2C9MEN1
Hydrochloric Acid SCHEMBL3281324 0.83 KMT2A (0.46) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3276244 0.82 KMT2A (0.47) KMT2APOLBPTGDR2CYP2C9MEN1
SCHEMBL3283156 0.82 PTGDR2 (0.42) KMT2APOLBPTGDR2CYP2C9MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 KMT2A 3786/4885POLB 1631/4885PTGDR2 414/4885

“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.