SCHEMBL2898504

SCHEMBL2898504

Brc1ccc(-c2nnn[nH]2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.40
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
POLB P06746 4/20 0.40
PTK2B Q14289 2/20 0.35
MAPK13 O15264 1/20 0.35
GCGR P47871 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TP53 P04637 4/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 7/20 0.33
MEN1 O00255 6/20 0.33

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
SCHEMBL22431061 0.74
SCHEMBL13628700 0.73 ALOX5 (0.36) CYP1A2CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL11983825 0.68 NPC1 (0.46) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL24502044 0.67
SCHEMBL15827302 0.66 NPC1 (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL101638 0.65
SCHEMBL24501679 0.64
SCHEMBL17811141 0.63 NPC1 (0.40) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL13411813 0.63 ADH5 (0.36)
SCHEMBL22206279 0.63

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-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
US-7572753-B2 Tetrazole fungicides CHEMTURA CORPORATION (US) 2009-08-11 US disclosed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
US-20070060631-A1 2-cyanomethyl-5-(3-substituted phenyl or 5-substituted thien-2-yl)-2H-tetrazoles; agricultural fungicides such as for rice blast CROMPTON COLORS INCORPORATED 2007-03-15 US disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 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 (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-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD SMN1; SMN2 3845/4885NPC1 3916/4885RAB9A 4328/4885
US-20070060631-A1 2-cyanomethyl-5-(3-substituted phenyl or 5-substituted thien-2-yl)-2H-tetrazoles; agricultural fungicides such as for rice blast TH, HAO2, TDO2 SMN1; SMN2 4312/4885NPC1 3648/4885RAB9A 3177/4885

“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.