SCHEMBL2805840

SCHEMBL2805840

Nc1cncc(C(=O)NC2(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR132 Q9UNW8 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DDO Q99489 1/20 0.40
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BDKRB1 P46663 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL185219 0.78 KDM4E (0.53) KMT2AMEN1HSD17B10LMNAGPR132
SCHEMBL30470767 0.77 RAB9A (0.63) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL29081318 0.77 RAB9A (0.63) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL2808139 0.77 DDB1 (0.40) KMT2AMEN1GPR132HDAC1DDB1
SCHEMBL1840338 0.76 CTSK (0.53) KMT2ATDP1GPR132DDB1CRBN
SCHEMBL1838049 0.72 GPR132 (0.46) HTTLMNAGPR132ALDH1A1HDAC1
SCHEMBL1837739 0.72 CTSL (0.57) KMT2AMEN1GPR132SMN1; SMN2NPC1
SCHEMBL1837413 0.72 GPR132 (0.47) GPR132NPC1
SCHEMBL1840830 0.71 CTSL (0.49) GPR132
SCHEMBL15106342 0.70 ALDH1A1 (0.51) KMT2ATDP1ALDH1A1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN 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 314/4885HTT 3537/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KMT2A 4682/4885MEN1 314/4885HTT 3537/4885

“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.