SCHEMBL3611041

SCHEMBL3611041

O=C(O)c1cc(-c2nnn[nH]2)c(-c2ccccn2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
PIN1 Q13526 1/20 0.41
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
MAPK14 Q16539 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TGFBR1 P36897 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 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
SCHEMBL3606513 0.84 LMNA (0.45) KDM4EMAPK14ALDH1A1KMT2ALMNA
SCHEMBL3606403 0.83 MAPK14 (0.46) KDM4EMAPK14ALDH1A1KMT2ANOTUM
SCHEMBL3596652 0.80 NOTUM (0.42) KDM4EMAPK14ALDH1A1NOTUMLMNA
SCHEMBL3603427 0.78 MCL1 (0.41) KDM4EMAPK14ALDH1A1KMT2ANOTUM
SCHEMBL3602742 0.77 KDM4E (0.41) KDM4EALDH1A1KMT2ANOTUMLMNA
SCHEMBL3607851 0.77 MAPK14 (0.61) MAPK14NOTUMLMNA
SCHEMBL3592626 0.76 CSNK1D (0.47) KDM4EPIN1MAPK14NOTUMDHODH
SCHEMBL3615683 0.74 KDM4E (0.44) KDM4EPIN1KDM6BKDM4AKDM5C
SCHEMBL3604294 0.74 OPRD1 (0.56) KDM4EMAPK14ALDH1A1KMT2ALMNA
SCHEMBL3612660 0.74 MAPK14 (0.34) KDM4EMAPK14ALDH1A1KMT2AMAPT

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 KDM4E 4236/4885PIN1 3464/4885KDM6B 2991/4885

“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.