SCHEMBL8043018

SCHEMBL8043018

Cc1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2c(C)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.64
CDK2 P24941 5/20 0.54
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2A P28223 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
NQO2 P16083 1/20 0.45
PKM P14618 2/20 0.45
PKLR P30613 1/20 0.45

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
SCHEMBL26978789 0.88 CDK2 (0.72) MAPTCDK2MEN1KMT2AALDH1A1
SCHEMBL19114699 0.87 MAPT (0.52) MAPTCDK2MEN1KMT2AALDH1A1
SCHEMBL15267237 0.85 MAPT (0.71) MAPTCDK2MEN1KMT2AALDH1A1
SCHEMBL8066751 0.83 HTR2A (0.55) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL8042979 0.82 MAPT (0.53) MAPTCDK2MEN1KMT2AALDH1A1
SCHEMBL8048114 0.81 HTR2A (0.59) MAPTCDK2ALDH1A1HTR2ANPSR1
SCHEMBL19114517 0.81 MAPT (0.44) MAPTCDK2MEN1KMT2AALDH1A1
SCHEMBL8063649 0.80 HTR2A (0.49) MAPTCDK2MEN1KMT2AALDH1A1
SCHEMBL19114672 0.80 MAPT (0.46) MAPTCDK2MEN1KMT2AALDH1A1
SCHEMBL12811112 0.80 HTR2A (0.51) MAPTCDK2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 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-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 MAPT 1187/4885CDK2 35/4885MEN1 1259/4885

“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.