SCHEMBL4784285

SCHEMBL4784285

Cc1ccc(NC(=O)c2ccc3[nH]c(C(=O)O)c(CCCN)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.55
MAPT P10636 8/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPKAPK2 P49137 1/20 0.46
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MCL1 Q07820 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
HTR1F P30939 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1345355 0.91 MAPT (0.54) TP53MAPTKDM4EMAPKAPK2KMT2A
Acetic Acid SCHEMBL1345951 0.91 MAPT (0.54) TP53MAPTKDM4EMAPKAPK2KMT2A
SCHEMBL1345311 0.91 PRNP (0.47) TP53MAPTKDM4EMAPKAPK2RAB9A
SCHEMBL1345870 0.90 RAB9A (0.60) TP53MAPTKDM4ERAB9AKMT2A
SCHEMBL1345602 0.90 MAPKAPK2 (0.48) TP53MAPTKDM4EMAPKAPK2RAB9A
SCHEMBL1343642 0.90 TP53 (0.56) TP53MAPTKDM4ERAB9AKMT2A
SCHEMBL1345627 0.89 MAPT (0.57) TP53MAPTKDM4EMAPKAPK2RAB9A
SCHEMBL1345168 0.88 POLB (0.56) TP53MAPTKDM4EMAPKAPK2RAB9A
SCHEMBL1346090 0.85 KDM4E (0.51) KDM4EMCL1POLBALDH1A1RXFP1
SCHEMBL1345396 0.85 BRD4 (0.53) MAPTKDM4ERAB9AKMT2AMCL1

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 6 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-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 TP53 766/4885MAPT 2259/4885KDM4E 2027/4885

“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.