SCHEMBL2898239

SCHEMBL2898239

Brc1ccc(-n2cnc(-c3cccnc3)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2E1 P05181 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2B6 P20813 3/20 0.52
CYP3A4 P08684 3/20 0.50
G6PD P11413 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NLRP3 Q96P20 1/20 0.48
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
USP8 P40818 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CYP11B1 P15538 1/20 0.42

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
SCHEMBL2893816 0.85 NPC1 (0.65) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL6172906 0.81 CYP2A6 (0.56) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL2899672 0.80 CYP2A6 (0.49) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL999177 0.75 CYP2A6 (0.62) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL5792405 0.75 CYP2A6 (0.49) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL5792876 0.74 CYP2A6 (0.48) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL2732909 0.73 CYP2A6 (0.50) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL15747849 0.72 CYP2A6 (0.59) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL27381147 0.72 GRIN2D (0.38) NPC1RAB9ANLRP3MAPTKDM4E
SCHEMBL27584243 0.71 CYP2A6 (0.55) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 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-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD CYP2A6 702/4885CYP2C19 273/4885CYP2E1 799/4885

“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.