SCHEMBL4474754

SCHEMBL4474754

COc1cnc2cccc(C(=O)C(Br)Br)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.45
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
HCAR2 Q8TDS4 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
SCHEMBL30753385 0.83 ALDH1A1 (0.53) PARP1KMT2AMEN1KDM4EGAA
SCHEMBL4480246 0.83 PARP1 (0.49) PARP1KMT2AMEN1KDM4EGAA
SCHEMBL4495592 0.81 PARP1 (0.45) PARP1KMT2AMEN1KDM4EGAA
SCHEMBL6205021 0.78 KMT2A (0.39) PARP1KMT2AMEN1KDM4EGAA
SCHEMBL1148027 0.76 HTT (0.39) PARP1KMT2AMEN1KDM4EGAA
SCHEMBL3581533 0.73 ACHE (0.52) PARP1KMT2AKDM4EGAANPC1
SCHEMBL592684 0.72 MEN1 (0.46) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL14400280 0.72 NPC1 (0.41) PARP1KMT2AMEN1KDM4EGAA
SCHEMBL1147899 0.71 RAB9A (0.42) PARP1KMT2AMEN1KDM4EATM
SCHEMBL18544285 0.71 NPC1 (0.42) PARP1KMT2AMEN1KDM4EATM

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 2 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

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 157/4885KMT2A 1177/4885MEN1 3625/4885

“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.