SCHEMBL3609166

SCHEMBL3609166

CCOC(=O)c1cc(C#N)c(-c2ccc(F)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.61
GRM6 O15303 1/20 0.51
KDM4E B2RXH2 6/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GPR55 Q9Y2T6 2/20 0.45
PTGS2 P35354 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
PRKCZ Q05513 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 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
SCHEMBL3602085 0.81 MAPK14 (0.65) MAPK14GRM6KDM4EMAPTNPC1
SCHEMBL3611196 0.78 KDM4E (0.67) MAPK14GRM6KDM4EMAPTNPC1
SCHEMBL18430426 0.77 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDL3MBTL1
SCHEMBL5250495 0.76 MAPK14 (1.00) MAPK14GRM6ALDH1A1HPGDPTGS2
SCHEMBL8985409 0.76 MAPK14 (0.75) MAPK14GRM6KDM4EMAPTNPC1
SCHEMBL423848 0.74 MAPK14 (0.52) MAPK14GRM6KDM4EMAPTNPC1
SCHEMBL3498454 0.74 MAPK14 (0.54) MAPK14GRM6KDM4EMAPTNPC1
SCHEMBL1514324 0.74 KDM4E (0.45) GRM6KDM4EMAPTALDH1A1HPGD
SCHEMBL11441054 0.74 KDM4E (0.51) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12650326 0.74 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDL3MBTL1

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 3989/4885KDM4E 4236/4885

“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.