SCHEMBL12845698

SCHEMBL12845698

O=C(Cc1ccccc1)NCc1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
HSD17B2 P37059 1/20 0.47
PTGS1 P23219 1/20 0.47
CDK2 P24941 8/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL12845780 0.92 GSK3B (0.49) PTGS2PTGS1CDK2LMNASMN1; SMN2
SCHEMBL12845384 0.90 PTGS2 (0.48) PTGS2PTGS1CDK2LMNAKMT2A
SCHEMBL12845394 0.88 MEN1 (0.55) PTGS2PTGS1CDK2LMNAKMT2A
SCHEMBL12845612 0.86 PTGS2 (0.50) PTGS2PTGS1CDK2SMN1; SMN2KMT2A
SCHEMBL13037147 0.86 PTGS2 (0.50) PTGS2PTGS1CDK2LMNAKMT2A
SCHEMBL12845624 0.86 HRH3 (0.48) KMT2AMEN1
SCHEMBL12845452 0.85 MC5R (0.49) LMNAKMT2AMEN1
SCHEMBL12845382 0.84 MTNR1A (0.54) PTGS2PTGS1KMT2AMEN1
SCHEMBL12845516 0.84 HRH3 (0.50) PTGS2PTGS1CDK2KMT2AMEN1
SCHEMBL12845672 0.84 PTGS2 (0.46) PTGS2PTGS1CDK2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 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 (2 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-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 PTGS2 3159/4885HSD17B2 3996/4885PTGS1 1950/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 PTGS2 3159/4885HSD17B2 3996/4885PTGS1 1950/4885

“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.