SCHEMBL3200569

SCHEMBL3200569

O=C(NCc1ccc(Br)cc1)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
USP2 O75604 1/20 0.60
HDAC6 Q9UBN7 1/20 0.59
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
TGM2 P21980 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
FPR2 P25090 3/20 0.51
FPR3 P25089 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL28472104 0.84 ALDH1A1 (0.62) ALDH1A1HPGDUSP2HDAC6ERCC1
SCHEMBL2178711 0.83 ALDH1A1 (0.52) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL2581440 0.82 ALDH1A1 (0.60) ALDH1A1HPGDUSP2HDAC6ERCC1
SCHEMBL11296859 0.82 MAPT (0.68) ALDH1A1HPGDUSP2MAPTPOLB
SCHEMBL12001260 0.82 ALDH1A1 (0.60) ALDH1A1HPGDUSP2HDAC6ERCC1
SCHEMBL23774080 0.82 ALDH1A1 (0.64) ALDH1A1HPGDUSP2SMN1; SMN2KMT2A
SCHEMBL15651018 0.82 ALDH1A1 (0.60) ALDH1A1HPGDUSP2HDAC6ERCC1
SCHEMBL29675228 0.81 ALDH1A1 (0.86) ALDH1A1HPGDUSP2NPSR1MAPT
SCHEMBL2469546 0.81 ALDH1A1 (0.86) ALDH1A1HPGDUSP2NPSR1MAPT
Trifluoroacetic Acid SCHEMBL5011847 0.81 ALDH1A1 (0.58) ALDH1A1HPGDUSP2HDAC6ERCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092976-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 ALDH1A1 1766/4885HPGD 4794/4885USP2 3427/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L ALDH1A1 4167/4885HPGD 4321/4885USP2 4245/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 ALDH1A1 1766/4885HPGD 4794/4885USP2 3427/4885

“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.