SCHEMBL3328137

SCHEMBL3328137

O=C(O)C=Cc1cc(-c2nnn[nH]2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
ESR1 P03372 2/20 0.37
TDO2 P48775 1/20 0.36
MAPT P10636 1/20 0.33
ESR2 Q92731 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
RPA1 P27694 1/20 0.33
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
NR4A2 P43354 1/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL3328132 1.00 MAPK14 (0.39) MAPK14ESR1TDO2MAPTESR2
SCHEMBL3326373 0.90 CCNC (0.35) ESR1MAPTCCNCCDK8NR4A2
SCHEMBL3326376 0.90 CCNC (0.35) ESR1MAPTCCNCCDK8NR4A2
SCHEMBL3327333 0.81 PTPN1 (0.36) MAPK14ESR1TDO2MAPTESR2
SCHEMBL3327323 0.81 PTPN1 (0.36) MAPK14ESR1TDO2MAPTESR2
SCHEMBL3607851 0.80 MAPK14 (0.61) MAPK14CA12ALPLRPA1NR4A2
SCHEMBL3328685 0.78 KMT2A (0.35) MAPTCCNCCDK8
SCHEMBL3328679 0.78 KMT2A (0.35) MAPTCCNCCDK8
SCHEMBL3601024 0.75 MAPK14 (0.42) MAPK14ESR1MAPTESR2PTGS2
SCHEMBL3328430 0.74 TBXAS1 (0.38) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 MAPK14 4071/4885ESR1 1427/4885TDO2 64/4885

“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.