SCHEMBL1346597

SCHEMBL1346597

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KIF11 P52732 1/20 0.44
POLB P06746 2/20 0.43
MDM2 Q00987 1/20 0.43
MCL1 Q07820 5/20 0.43
PRNP P04156 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 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
Hydrochloric Acid SCHEMBL1343705 0.99 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10KIF11
SCHEMBL1345396 0.86 BRD4 (0.53) KDM4EALDH1A1POLBMCL1KMT2A
Hydrochloric Acid SCHEMBL1347019 0.85 BRD4 (0.52) KDM4EALDH1A1POLBMCL1KMT2A
SCHEMBL1345255 0.82 ROCK2 (0.46) ALDH1A1POLBMCL1TSHR
SCHEMBL1345685 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL1345754 0.81 ROCK2 (0.45) ALDH1A1POLBMCL1TSHR
SCHEMBL1343642 0.80 TP53 (0.56) KDM4EMEN1KMT2A
SCHEMBL1345381 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10KIF11
SCHEMBL4784285 0.80 TP53 (0.55) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1343751 0.80 RXFP1 (0.67) KDM4EALDH1A1HPGDHSD17B10POLB

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 5 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

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 2027/4885ALDH1A1 3398/4885HPGD 897/4885

“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.