SCHEMBL1345355

SCHEMBL1345355

NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
KDM4E B2RXH2 3/20 0.48
MCL1 Q07820 2/20 0.46
POLB P06746 2/20 0.45
KMT2A Q03164 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FOLH1 Q04609 1/20 0.43
TP53 P04637 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
Acetic Acid SCHEMBL1345951 0.97 MAPT (0.54) MAPTJAK2JAK1KDM4EMCL1
SCHEMBL4784285 0.91 TP53 (0.55) MAPTKDM4EMCL1POLBKMT2A
SCHEMBL1345627 0.91 MAPT (0.57) MAPTKDM4EMCL1POLBKMT2A
SCHEMBL1345311 0.90 PRNP (0.47) MAPTJAK2JAK1KDM4EPOLB
SCHEMBL1345168 0.90 POLB (0.56) MAPTJAK2JAK1KDM4EPOLB
SCHEMBL1345415 0.90 MAPKAPK2 (0.47) MAPTJAK2JAK1KDM4EKMT2A
SCHEMBL1345394 0.89 MAPKAPK2 (0.52) MAPKAPK2
SCHEMBL1345396 0.89 BRD4 (0.53) MAPTJAK2JAK1KDM4EMCL1
SCHEMBL1345681 0.88 MAPT (0.59) MAPTKDM4EMCL1POLBKMT2A
Hydrochloric Acid SCHEMBL1347019 0.88 BRD4 (0.52) MAPTJAK2JAK1KDM4EMCL1

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-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
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 MAPT 2259/4885JAK2 127/4885JAK1 273/4885

“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.