SCHEMBL4495592

SCHEMBL4495592

COc1cnc2cccc(C(=O)CBr)c2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.45
PTPN1 P18031 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGDS O60760 1/20 0.40
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.36
RAD52 P43351 1/20 0.35
SMARCA2 P51531 1/20 0.35

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
SCHEMBL30753385 0.83 ALDH1A1 (0.53) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL4480246 0.83 PARP1 (0.49) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL4474754 0.81 PARP1 (0.45) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2918923 0.80 HPGDS (0.40) HPGDSKDM4EGSK3B
SCHEMBL4481104 0.79 MTNR1A (0.50) PARP1PTPN1HPGDSMTNR1AMTNR1B
SCHEMBL15228917 0.79 PTPN1 (0.44) PARP1PTPN1KMT2AMEN1SMN1; SMN2
SCHEMBL592558 0.77 NPC1 (0.40) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL14400280 0.75 NPC1 (0.41) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL592684 0.75 MEN1 (0.46) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL3329530 0.74 MTNR1B (0.44) PARP1KMT2AMEN1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 PARP1 157/4885PTPN1 361/4885KMT2A 1177/4885

“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.