SCHEMBL3601656

SCHEMBL3601656

CCOC(=O)c1cc(-c2nnn[nH]2)c(-c2cccc(F)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
TRPM8 Q7Z2W7 4/20 0.47
ALDH1A1 P00352 8/20 0.43
LMNA P02545 1/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
HPGD P15428 7/20 0.41
KDM4E B2RXH2 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CSNK1D P48730 2/20 0.39
RPS6KB1 P23443 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NTRK2 Q16620 1/20 0.39
AURKB Q96GD4 1/20 0.39
ELANE P08246 1/20 0.39
HSD17B10 Q99714 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3605760 0.89 MAPK14 (0.66) MAPK14TRPM8ALDH1A1LMNAHPGD
SCHEMBL3592626 0.84 CSNK1D (0.47) MAPK14TRPM8JAK3KDM4ECSNK1D
SCHEMBL3606513 0.80 LMNA (0.45) MAPK14ALDH1A1LMNAHPGDKDM4E
SCHEMBL3613513 0.78 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL12497225 0.76 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL3592492 0.74 STK17B (0.43) MAPK14ALDH1A1LMNAHPGDKDM4E
SCHEMBL3598647 0.72 PIN1 (0.44) ALDH1A1LMNAHPGDKDM4EHSD17B10
SCHEMBL5639017 0.72 NPC1 (0.49) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL6018669 0.71 MAPK14 (0.65) MAPK14TRPM8ALDH1A1HPGDKDM4E
SCHEMBL10109873 0.71 TRPM8 (0.54) MAPK14TRPM8ALDH1A1LMNAJAK2

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 3384/4885TRPM8 2375/4885ALDH1A1 4295/4885

“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.