SCHEMBL3609405

SCHEMBL3609405

CCOC(=O)c1sc(-c2ccc(F)cc2)cc1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
KDM4E B2RXH2 8/20 0.72
RAB9A P51151 7/20 0.72
NPC1 O15118 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
RECQL P46063 1/20 0.61
HPGD P15428 6/20 0.56
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 3/20 0.54
TRPM8 Q7Z2W7 2/20 0.54
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL12483690 0.86 MAPT (0.61) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16095299 0.84 KDM4E (0.57) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3611196 0.81 KDM4E (0.67) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3602085 0.78 MAPK14 (0.65) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3601307 0.78 PTPN1 (0.58) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL6312102 0.78 MAPT (0.67) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27535968 0.77 KDM4E (0.66) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16095667 0.76 MAPT (0.49) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL656187 0.76 MAPT (0.80) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL12483440 0.75 GSK3B (0.53) MAPTKDM4ERAB9ANPC1SMN1; SMN2

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 MAPT 4883/4885KDM4E 4236/4885RAB9A 3435/4885

“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.