Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806861

SCHEMBL2806861

SCHEMBL2806861

O=C1CCC(C(=O)NC2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CC2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ SSTR4 P31391 1/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL185594 0.92 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL198810 0.92 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL2804900 0.92 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL185730 0.85 BDKRB1 (0.35) SMN1; SMN2MEN1KMT2ACYP1A2POLB
SCHEMBL2806172 0.85 POLB (0.43) MEN1KMT2ACYP1A2POLBSSTR4
SCHEMBL185966 0.80 BDKRB1 (0.40) MEN1KMT2APOLBBDKRB1
SCHEMBL2806680 0.80 RAB9A (0.39) SMN1; SMN2MEN1KMT2APOLBBDKRB1
SCHEMBL13128411 0.80 POLB (0.45) MEN1KMT2APOLBEPHX2
SCHEMBL2808449 0.79 MEN1 (0.35) MEN1KMT2ACYP1A2POLBSSTR4
SCHEMBL2808451 0.79 MEN1 (0.35) MEN1KMT2ACYP1A2POLBSSTR4

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 7 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
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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — 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 (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 SMN1; SMN2 4025/4885MEN1 314/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 SMN1; SMN2 4025/4885MEN1 314/4885KMT2A 4682/4885

“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.