SCHEMBL1343751

SCHEMBL1343751

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.67
PRNP P04156 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
PPARG P37231 1/20 0.67
HIF1A Q16665 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
NR2E3 Q9Y5X4 1/20 0.67
NCOR2 Q9Y618 1/20 0.67
GPR17 Q13304 1/20 0.56
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MCL1 Q07820 5/20 0.46
FOLH1 Q04609 1/20 0.45
POLB P06746 1/20 0.44

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 SCHEMBL4785906 0.99 RXFP1 (0.65) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL11077199 0.92 NPSR1 (0.70) RXFP1PRNPCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11086577 0.90 NPSR1 (0.68) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL12133144 0.83 PPARG (0.79) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL1345311 0.83 PRNP (0.47) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL1345685 0.83 KDM4E (0.56) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL1343823 0.82 GPR17 (0.58) GPR17ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26978823 0.81 GPR17 (0.75) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL1345727 0.81 KDM4E (0.73) GPR17ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1345415 0.81 MAPKAPK2 (0.47) RXFP1PRNPCYP1A2CYP2C9CYP2C19

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 RXFP1 3760/4885PRNP 3333/4885CYP1A2 1780/4885

“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.