SCHEMBL3909018

SCHEMBL3909018

CCOC(=O)c1cc(Br)cc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 4/20 0.49
POLB P06746 3/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 6/20 0.45
RECQL P46063 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL841568 0.88 CYP1A2 (0.61) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1425164 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13749721 0.83 CYP1A2 (0.51) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19787931 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL402291 0.81 MAPT (0.45) ALDH1A1MAPTRAB9AKMT2ACYP1A2
SCHEMBL31115346 0.81 MAPT (0.45) ALDH1A1MAPTRAB9AKMT2ACYP1A2
SCHEMBL1919555 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3094672 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL22854579 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3008182 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US disclosed
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1799680-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
WO-2006038116-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 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-20070191394-A1 Antibacterial agents MRPL21, RPN2, FBL ALDH1A1 637/4885SMN1; SMN2 2248/4885MAPT 4424/4885
US-20080021059-A1 Antibacterial Agents CLPP, QDPR, CLSPN ALDH1A1 3118/4885SMN1; SMN2 4497/4885MAPT 3993/4885
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA ALDH1A1 272/4885SMN1; SMN2 1846/4885MAPT 4632/4885

“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.