SCHEMBL3605760

SCHEMBL3605760

CCOC(=O)c1cc(-c2nnn[nH]2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.66
GRM6 O15303 1/20 0.46
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKCZ Q05513 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GCGR P47871 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL3601656 0.89 MAPK14 (0.52) MAPK14KDM4EMAPTNPC1RAB9A
SCHEMBL3607851 0.83 MAPK14 (0.61) MAPK14PTGS2PTGS1OPRD1LMNA
SCHEMBL3606513 0.80 LMNA (0.45) MAPK14KDM4EMAPTNPC1RAB9A
SCHEMBL5250495 0.80 MAPK14 (1.00) MAPK14GRM6PTGS2PTGS1ALDH1A1
SCHEMBL3604669 0.80 MAPK14 (0.65) MAPK14GRM6PTGS2PTGS1KDM4E
SCHEMBL3592492 0.79 STK17B (0.43) MAPK14KDM4EMAPTNPC1RAB9A
SCHEMBL3598457 0.77 MAPK14 (0.65) MAPK14GRM6PTGS2PTGS1KDM4E
SCHEMBL8985409 0.77 MAPK14 (0.75) MAPK14GRM6PTGS2PTGS1KDM4E
SCHEMBL3610689 0.76 MAPK14 (0.62) MAPK14GRM6PTGS2PTGS1KDM4E
SCHEMBL3602085 0.75 MAPK14 (0.65) MAPK14GRM6PTGS2PTGS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MAPK14 3384/4885GRM6 3989/4885PTGS2 2089/4885

“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.