SCHEMBL3606770

SCHEMBL3606770

CCOC(=O)NC(=O)/C(C#N)=C\c1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.77
POLB P06746 2/20 0.77
KMT2A Q03164 6/20 0.74
MEN1 O00255 5/20 0.74
PSMD14 O00487 1/20 0.74
MAPT P10636 6/20 0.51
LMNA P02545 4/20 0.51
MAPK1 P28482 3/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 2/20 0.51
USP2 O75604 2/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
PTP4A1 Q93096 1/20 0.47
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL3606773 1.00 ALDH1A1 (0.77) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3597213 0.87 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3597216 0.87 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3605164 0.85 ALDH1A1 (0.74) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3599900 0.85 ALDH1A1 (0.74) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3604145 0.85 ALDH1A1 (0.86) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3604143 0.85 ALDH1A1 (0.86) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL363338 0.82 ALDH1A1 (0.71) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL363339 0.82 ALDH1A1 (0.71) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL3607452 0.81 ALDH1A1 (0.68) ALDH1A1POLBKMT2AMEN1PSMD14

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-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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 (1 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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ALDH1A1 3764/4885POLB 4582/4885KMT2A 2830/4885

“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.