SCHEMBL18784109

SCHEMBL18784109

Cc1cc(C(F)(F)F)c(NCCc2c[nH]c3ccccc23)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
POLB P06746 1/20 0.55
SLC2A1 P11166 1/20 0.55
RAD52 P43351 1/20 0.55
HTR2A P28223 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTR1A P08908 1/20 0.53
MAPT P10636 4/20 0.53
CDK2 P24941 2/20 0.52
MEN1 O00255 5/20 0.51
MAPK1 P28482 2/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 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
SCHEMBL13130734 0.88 MAPT (0.56) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL18783543 0.84 KMT2A (0.59) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL18531469 0.83 KMT2A (0.54) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL18531468 0.83 KMT2A (0.62) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL8041017 0.81 KMT2A (0.51) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL18784064 0.81 KMT2A (0.59) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL7015692 0.78 HRH3 (0.67) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL28374986 0.78 KMT2A (0.64) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL8041612 0.76 CDK2 (0.46) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL7011744 0.76 GOT1 (0.70) KMT2APOLBSLC2A1RAD52HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 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-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 KMT2A 2789/4885POLB 1537/4885SLC2A1 4527/4885

“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.