SCHEMBL3596652

SCHEMBL3596652

O=C(O)c1cc(-c2nnn[nH]2)c(-c2ccccc2F)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.42
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ACMSD Q8TDX5 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLK4 O00444 2/20 0.36
DAPK3 O43293 2/20 0.36
CHEK2 O96017 2/20 0.36
CDK1 P06493 2/20 0.36
PIM1 P11309 2/20 0.36
CDK2 P24941 2/20 0.36
MAPK9 P45984 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
RPS6KA3 P51812 2/20 0.36

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
SCHEMBL3606403 0.84 MAPK14 (0.46) NOTUMMAPK14KDM4EALDH1A1HPGD
SCHEMBL3603427 0.83 MCL1 (0.41) NOTUMMAPK14KDM4EALDH1A1HPGD
SCHEMBL3607851 0.82 MAPK14 (0.61) NOTUMMAPK14LMNAPLK4DAPK3
SCHEMBL3602742 0.82 KDM4E (0.41) NOTUMKDM4EALDH1A1HPGDLMNA
SCHEMBL3592626 0.82 CSNK1D (0.47) NOTUMMAPK14KDM4EMAPK1PLK4
SCHEMBL3611041 0.80 KDM4E (0.46) NOTUMMAPK14KDM4EALDH1A1HPGD
SCHEMBL3655915 0.75 MAOA (0.43) ACMSDDHODH
SCHEMBL1773738 0.75 DCUN1D1 (0.47) NOTUMMAPK14KDM4EALDH1A1LMNA
SCHEMBL31023996 0.75 DCUN1D1 (0.47) NOTUMMAPK14KDM4EALDH1A1LMNA
SCHEMBL3604294 0.75 OPRD1 (0.56) MAPK14KDM4EALDH1A1HPGDLMNA

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-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

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 NOTUM 2646/4885MAPK14 3384/4885KDM4E 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.