SCHEMBL8424403

SCHEMBL8424403

CCNC(=O)C(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
MPO P05164 1/20 0.67
TSHR P16473 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
HTR2A P28223 2/20 0.58
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
SLC6A4 P31645 1/20 0.57

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
SCHEMBL7649881 1.00 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL24725504 0.90 KDM4E (0.64) KDM4EMAPTMEN1LMNAMPO
SCHEMBL27163831 0.88 KDM4E (0.61) KDM4EMAPTMEN1LMNAMPO
SCHEMBL30812923 0.88 KDM4E (0.61) KDM4EMAPTMEN1LMNAMPO
SCHEMBL25080947 0.88 KDM4E (0.61) KDM4EMAPTMEN1LMNAMPO
SCHEMBL6847928 0.87 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL20375720 0.87 KDM4E (0.64) KDM4EMAPTMEN1LMNAMPO
SCHEMBL25326947 0.87 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL7613225 0.87 KMT2A (0.60) KDM4EMAPTMEN1LMNAMPO
SCHEMBL876693 0.86 KDM4E (0.70) KDM4EMAPTMEN1LMNAMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-7335725-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20050203006-A1 Novel lipopeptides as antibacterial agents MERCK SHARP & DOHME CORP. 2005-09-15 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F KDM4E 1171/4885MAPT 4194/4885MEN1 846/4885
US-20050203006-A1 Novel lipopeptides as antibacterial agents CLPTM1, NGLY1, VIP KDM4E 4432/4885MAPT 4381/4885MEN1 3618/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KDM4E 4432/4885MAPT 4381/4885MEN1 3618/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B KDM4E 1072/4885MAPT 4775/4885MEN1 983/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KDM4E 4432/4885MAPT 4381/4885MEN1 3618/4885

“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.