SCHEMBL1345727

SCHEMBL1345727

COc1ccc2[nH]c(C(=O)O)c(CCCN)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.73
ALDH1A1 P00352 3/20 0.73
HPGD P15428 3/20 0.73
HSD17B10 Q99714 2/20 0.73
POLB P06746 1/20 0.67
MDM2 Q00987 1/20 0.67
GPR17 Q13304 1/20 0.59
HTR1D P28221 1/20 0.59
HTR6 P50406 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
AKR1C2 P52895 1/20 0.56
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
NQO2 P16083 1/20 0.54
MTNR1A P48039 8/20 0.53
MTNR1B P49286 8/20 0.53
MCL1 Q07820 1/20 0.51
GAA P10253 1/20 0.50

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 SCHEMBL1343869 0.99 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9127829 0.88 KDM4E (0.86) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3953151 0.86 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1345870 0.84 RAB9A (0.60) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3036074 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1343645 0.82 TRPM8 (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2403262 0.82 HTR1D (0.65) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1346632 0.82 KMT2A (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL29628842 0.82 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL1345619 0.82 TRPM8 (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT

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 2027/4885ALDH1A1 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.