SCHEMBL1345685

SCHEMBL1345685

NCCCc1c(C(=O)O)[nH]c2ccc(C(N)=O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
HTR7 P34969 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HTR1A P08908 2/20 0.51
HTR1B P28222 2/20 0.51
HTR2C P28335 2/20 0.51
HTR5A P47898 2/20 0.51
HTR6 P50406 2/20 0.51
CYP1A2 P05177 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
HTR1D P28221 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1E P28566 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL1346761 0.85 KDM4E (0.51) KDM4EHTR7HSD17B10HTR1AHTR1B
SCHEMBL1346090 0.85 KDM4E (0.51) KDM4EHTR7HSD17B10CYP1A2ALDH1A1
SCHEMBL1343751 0.83 RXFP1 (0.67) KDM4EHSD17B10CYP1A2ALDH1A1HPGD
SCHEMBL1345355 0.82 MAPT (0.54) KDM4EKMT2AALDH1A1MCL1RXFP1
Hydrochloric Acid SCHEMBL4785906 0.82 RXFP1 (0.65) KDM4EHSD17B10CYP1A2ALDH1A1HPGD
SCHEMBL1345432 0.81 CNR1 (0.48) KDM4EHSD17B10CYP1A2LMNAALDH1A1
SCHEMBL1346597 0.81 KDM4E (0.44) KDM4EHSD17B10CYP1A2MEN1TSHR
SCHEMBL1343823 0.81 GPR17 (0.58) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL4784285 0.81 TP53 (0.55) KDM4EHSD17B10MEN1KMT2ALMNA
SCHEMBL1346777 0.81 KDM4E (0.46) KDM4EHTR7HSD17B10CYP1A2MEN1

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-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 KDM4E 2027/4885HTR7 3488/4885HSD17B10 1261/4885

“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.