SCHEMBL4077453

SCHEMBL4077453

COC(=O)Cc1cccc(CN2C(=O)CCCN2CCC(=O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
OPRL1 P41146 1/20 0.41
KCNN4 O15554 1/20 0.41
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
KCNQ2 O43526 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4084927 0.96 PTGER4 (0.42) KMT2AMEN1PTGER4PTGER2OPRL1
SCHEMBL4087627 0.90 PTGER4 (0.40) KMT2AMEN1PTGER4PTGER2OPRL1
SCHEMBL4087547 0.86 PTGER4 (0.58) KMT2AMEN1PTGER4PTGER2OPRL1
SCHEMBL15163216 0.84 PTGER4 (0.43) KMT2AMEN1PTGER4PTGER2POLB
SCHEMBL28771821 0.83 KMT2A (0.48) KMT2AMEN1PTGER4PTGER2GAA
SCHEMBL27717957 0.82 KMT2A (0.47) KMT2AMEN1PTGER4PTGER2GAA
SCHEMBL4087358 0.82 PTGER4 (0.55) KMT2AMEN1PTGER4PTGER2KCNN4
SCHEMBL4077733 0.81 ALDH1A1 (0.41) KMT2AMEN1PTGER4PTGER2HTT
SCHEMBL15163244 0.81 PTGER4 (0.56) KMT2AMEN1PTGER4PTGER2OPRL1
SCHEMBL4080468 0.81 PTGER4 (0.60) KMT2AMEN1PTGER4PTGER2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 KMT2A 4051/4885MEN1 896/4885PTGER4 33/4885

“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.