SCHEMBL1424205

SCHEMBL1424205

N#Cc1c(F)ccc([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 12/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTSB P07858 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 4/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
RAC1 P63000 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL8095201 0.82 MAPT (0.50) ALDH1A1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL16122033 0.77 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3435615 0.77 MAPK1 (0.39) ALDH1A1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL3984049 0.76 CYP1A2 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP3A4
SCHEMBL28020044 0.76 CYP1A2 (0.50) ALDH1A1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL8104325 0.75 CTSB (0.59) ALDH1A1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL5235027 0.73 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1361699 0.72 TDP1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4140342 0.72 MAPT (0.67) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL6511388 0.71 MAPT (0.57) ALDH1A1KDM4EMAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2020-04-23 US disclosed
US-20180263966-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2018-09-20 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
EP-2203440-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2011-03-23 EP disclosed
CN-101868453-A Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV 2010-10-20 CN disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 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 (5 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 ALDH1A1 4139/4885KDM4E 3293/4885HPGD 2014/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 ALDH1A1 4139/4885KDM4E 3293/4885HPGD 2014/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 ALDH1A1 4139/4885KDM4E 3293/4885HPGD 2014/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 ALDH1A1 4081/4885KDM4E 3548/4885HPGD 2101/4885
US-20180263966-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 ALDH1A1 4139/4885KDM4E 3293/4885HPGD 2014/4885

“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.