SCHEMBL2808918

SCHEMBL2808918

CC(C)(C)N(Cc1ccc(Nc2ccccc2C#N)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 4/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
AURKA O14965 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL2806974 0.83 TBXA2R (0.41) LMNAHTTTAS2R14ALDH1A1MAPT
SCHEMBL5201785 0.81 MAPK13 (0.54) KMT2AMEN1TDP1GAAKDM4E
SCHEMBL5206034 0.77 MAPK1 (0.57) KMT2AMEN1TDP1GAAL3MBTL1
SCHEMBL5206028 0.77 MAPK1 (0.57) KMT2AMEN1TDP1GAAL3MBTL1
SCHEMBL186470 0.76 KDM4E (0.51) KMT2AMEN1TDP1GAAKDM4E
SCHEMBL5203690 0.76 FFAR1 (0.47) KMT2AMEN1L3MBTL1LMNAHTT
SCHEMBL20552825 0.75 HPGD (0.60) KMT2AMEN1TDP1GAAKDM4E
SCHEMBL17701291 0.75 NSD2 (0.48) KMT2AMEN1L3MBTL1LMNAHTT
Trifluoroacetic Acid SCHEMBL185638 0.75 TAS2R14 (0.46) KMT2AMEN1TDP1GAAKDM4E
SCHEMBL2807761 0.75 NAMPT (0.51) TDP1GAAKDM4EL3MBTL1PDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KMT2A 4682/4885MEN1 314/4885TDP1 2237/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KMT2A 4682/4885MEN1 314/4885TDP1 2237/4885

“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.