SCHEMBL8075495

SCHEMBL8075495

Cc1cc(Nc2ccnc3c2CCC3O)ccc1NCCc1c[nH]c2c(C)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS2 P35354 5/20 0.34
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ADRB3 P13945 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL13130737 1.00 HTR2A (0.36) HTR2AMAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL15267542 0.92 EGFR (0.33) PTGS2
SCHEMBL19114668 0.92 PTGS2 (0.30) PTGS2
SCHEMBL8043003 0.91 HTR2A (0.36) HTR2AMAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL13258483 0.91 PTGS2 (0.30) PTGS2
SCHEMBL15267231 0.91 PTGS2 (0.30) PTGS2
SCHEMBL13259097 0.91 PTGS2 (0.30) PTGS2
SCHEMBL13258435 0.91 PTGS2 (0.36) SMN1; SMN2PTGS2CDK2PTGS1
SCHEMBL15267543 0.91 PTGS2 (0.30) PTGS2
SCHEMBL19114061 0.91 BCHE (0.32) PTGS2

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
EP-2185541-B1 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2015-01-28 EP disclosed
US-8853406-B2 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8853406-B2 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2011-06-02 US disclosed
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2011-06-02 US disclosed
WO-2009019274-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-02-12 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-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR2A 3253/4885MAPT 1281/4885SMN1; SMN2 4380/4885

“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.