SCHEMBL7064069

SCHEMBL7064069

CC(NC(=O)C(N)Cc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.68
MMP8 P22894 2/20 0.68
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
MPO P05164 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
HIF1A Q16665 1/20 0.64
MMP2 P08253 1/20 0.59
APAF1 O14727 1/20 0.57
POLB P06746 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ACE P12821 1/20 0.57
CTSC P53634 2/20 0.56
HDAC8 Q9BY41 2/20 0.56

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
SCHEMBL7677247 0.88 MMP9 (0.74) MMP9MMP8MEN1KMT2AKDM4E
SCHEMBL4454564 0.88 MAPT (0.67) MMP9MMP8MEN1KMT2AKDM4E
SCHEMBL7648711 0.88 KDM4E (0.67) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL1617917 0.87 KDM4E (0.70) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL9499905 0.87 KDM4E (0.70) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7781160 0.87 KDM4E (0.70) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7778685 0.87 KDM4E (0.70) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL11580346 0.87 KDM4E (0.70) MEN1KMT2AKDM4EMAPTLMNA
Water SCHEMBL29655419 0.86 KDM4E (0.68) MEN1KMT2AKDM4EMAPTLMNA
Water SCHEMBL7631043 0.86 KDM4E (0.68) MEN1KMT2AKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065007-A1 NK1 receptor antagonists CRESWELL MARK WALLACE (US) 2003-04-03 US disclosed
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US disclosed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 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-20030065007-A1 NK1 receptor antagonists HRH1, HRH4, HRH2 MMP9 4069/4885MMP8 688/4885MEN1 2856/4885

“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.