SCHEMBL6090917

SCHEMBL6090917

CON=C1CCN2c3c(cccc31)C(=O)NC2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTR1A P08908 2/20 0.33
DRD1 P21728 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 1/20 0.32
ADRA1D P25100 2/20 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
SCHEMBL6090911 1.00 MEN1 (0.40) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL6089473 0.87 KDM4E (0.44) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL6089474 0.87 KDM4E (0.44) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL6090192 0.83 KMT2A (0.46) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL6089038 0.83 ESR1 (0.36) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL6089041 0.83 ESR1 (0.36) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL6090501 0.82 BRD4 (0.36) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL6090493 0.82 BRD4 (0.36) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL6091800 0.81 ALDH1A1 (0.44) KMT2AKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL6090899 0.79 KDM4E (0.40) MEN1KMT2AKDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 MEN1 2771/4885KMT2A 274/4885KDM4E 812/4885

“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.