SCHEMBL2805627

SCHEMBL2805627

Nc1cncc(C(=O)NC2(C(=O)O)CCOC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
DDO Q99489 1/20 0.45
BDKRB1 P46663 1/20 0.39
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GPR132 Q9UNW8 3/20 0.33
BACE1 P56817 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL185854 1.00 KDM4E (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2809256 0.87 KDM4E (0.48) KDM4EALDH1A1CYP4F2CYP4A11HSD17B10
SCHEMBL2809274 0.87 KDM4E (0.48) KDM4EALDH1A1CYP4F2CYP4A11HSD17B10
SCHEMBL185219 0.86 KDM4E (0.53) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL11984274 0.86 BDKRB1 (0.39) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2787462 0.84 VNN1 (0.40) BDKRB1CYP4F2CYP4A11GPR132BACE1
SCHEMBL186662 0.84 VNN1 (0.40) BDKRB1CYP4F2CYP4A11GPR132BACE1
SCHEMBL185595 0.84 VNN1 (0.40) BDKRB1CYP4F2CYP4A11GPR132BACE1
SCHEMBL186114 0.83 KDM4E (0.43) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL10070601 0.81 SPHK1 (0.37) KDM4EMEN1ALDH1A1LMNAKMT2A

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
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US 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 (3 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 KDM4E 4133/4885MEN1 314/4885ALDH1A1 1000/4885
US-20120208823-A1 New Compounds ABCG2, SDHA, UGT2B7 KDM4E 3647/4885MEN1 668/4885ALDH1A1 566/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KDM4E 4133/4885MEN1 314/4885ALDH1A1 1000/4885

“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.