SCHEMBL6070248

SCHEMBL6070248

Brc1ccc(C2=NOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
DGAT1 O75907 3/20 0.36
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 4/20 0.33
HTR2C P28335 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2A6 P11509 1/20 0.33
NPC1 O15118 3/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PKM P14618 1/20 0.33
MGLL Q99685 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL30594257 0.79 MAOB (0.39) GAAALDH1A1RAB9AHTR2CMAPT
SCHEMBL22776108 0.79 NOTUM (0.47) RAB9AHTR2CMAPTKMT2ANPC1
SCHEMBL667853 0.79 ESR1 (0.42) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL27411282 0.79 POLB (0.41) RAB9AHTR2CMAPTNPC1SMN1; SMN2
SCHEMBL27490806 0.79 CHRNB4 (0.39) GAAMAPK1ALDH1A1RAB9AMAPT
SCHEMBL570014 0.78 CHRNB4 (0.42) GAAMAPK1ALDH1A1RAB9AMAPT
SCHEMBL24035501 0.75 MKNK1 (0.37)
SCHEMBL28896993 0.75 CLK4 (0.44) GAAALDH1A1RAB9AMAPTNPC1
SCHEMBL8191317 0.75 NOTUM (0.44) GAAALDH1A1CYP2A6SMN1; SMN2
SCHEMBL6070922 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
EP-1567532-A1 OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-08-31 EP disclosed
WO-2004048392-A1 OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2004-06-10 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 (2 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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC GAA 1117/4885DGAT1 1558/4885MAPK1 2501/4885
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 GAA 4091/4885DGAT1 1505/4885MAPK1 2183/4885

“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.