SCHEMBL4716458

SCHEMBL4716458

COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
WDR5 P61964 1/20 0.66
LMNA P02545 1/20 0.65
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC1 Q13547 1/20 0.62
HPGD P15428 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 2/20 0.60
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
POLB P06746 1/20 0.58
PKM P14618 1/20 0.58
PPARG P37231 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53

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
SCHEMBL4714080 0.84 MAPT (0.68) ALDH1A1LMNAHDAC8HDAC6HDAC1
SCHEMBL21120270 0.81 ALDH1A1 (0.74) ALDH1A1LMNAHDAC8HDAC6HDAC1
SCHEMBL1813249 0.81 RAB9A (0.81) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL20601819 0.80 WDR5 (0.54) ALDH1A1WDR5HDAC8HDAC6HDAC1
SCHEMBL28668589 0.79 ALDH1A1 (0.77) ALDH1A1LMNAHDAC8HDAC6HDAC1
SCHEMBL11307886 0.78 ALDH1A1 (0.65) ALDH1A1LMNAHDAC8HDAC6HDAC1
SCHEMBL7033047 0.78 RAB9A (0.58) ALDH1A1WDR5LMNAHDAC8HDAC6
SCHEMBL15668350 0.77 CYP1A2 (0.68) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL8319324 0.76 RAB9A (0.64) ALDH1A1WDR5LMNAHDAC8HDAC6
SCHEMBL26406559 0.76 KMT2A (0.59) ALDH1A1WDR5LMNAHPGDMEN1

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
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 ALDH1A1 3073/4885WDR5 3020/4885LMNA 1762/4885

“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.