SCHEMBL2809865

SCHEMBL2809865

CC(C)Oc1ccc(Nc2ccc(CNC(=O)C3(C(N)=O)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
NR1H4 Q96RI1 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 1/20 0.37
GLA P06280 1/20 0.36
P2RX3 P56373 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL2778630 0.89 NPC1 (0.40) NR1H4NPC1RAB9ANAMPTALDH1A1
SCHEMBL2809872 0.89 TP53 (0.40) TP53NR1H4NPC1RAB9ANAMPT
SCHEMBL2779286 0.87 PTGES (0.34) CA1CA2CA7CA9CNR2
Hydrochloric Acid SCHEMBL2805728 0.86 PTGES (0.34) CA1CA2CA7CA9CNR2
SCHEMBL2781755 0.81 POLB (0.40) NPC1RAB9ANAMPTALDH1A1MAPT
SCHEMBL2805808 0.79 BDKRB1 (0.48) TP53NR1H4NAMPTMAPTPOLB
SCHEMBL185509 0.78 P2RX3 (0.43) TP53GLAP2RX3ALDH1A1MAPT
SCHEMBL2782059 0.78 BDKRB1 (0.39) TP53NR1H4NPC1RAB9ANAMPT
SCHEMBL2808315 0.77 NPC1 (0.41) NR1H4NPC1RAB9ANAMPTALDH1A1
SCHEMBL13160172 0.77 TP53 (0.33) TP53NR1H4NPC1RAB9ANAMPT

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 TP53 2836/4885NR1H4 116/4885NPC1 926/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 TP53 2836/4885NR1H4 116/4885NPC1 926/4885

“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.