SCHEMBL3313876

SCHEMBL3313876

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OC)nc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
KDM4E B2RXH2 1/20 0.68
PDE5A O76074 17/20 0.64
PDE2A O00408 2/20 0.64
PDE9A O76083 2/20 0.64
PDE4A P27815 2/20 0.64
PDE6C P51160 2/20 0.64
PDE1A P54750 2/20 0.64
PDE3B Q13370 2/20 0.64
PDE3A Q14432 2/20 0.64
PDE11A Q9HCR9 2/20 0.64
PDE10A Q9Y233 2/20 0.64
ABCC4 O15439 1/20 0.64
ABCC5 O15440 1/20 0.64
PDE6D O43924 1/20 0.64
PDE8A O60658 1/20 0.64
ABCB11 O95342 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR1A P08908 1/20 0.64
PDE6A P16499 1/20 0.64

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
SCHEMBL29655374 0.92 KMT2A (0.83) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL1071 0.92 KMT2A (0.83) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL31202676 0.91 KMT2A (0.73) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL1253 0.91 KMT2A (0.73) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL5458125 0.90 KMT2A (0.59) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL931 0.87 PDE5A (0.68) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL6207658 0.86 PDE5A (0.86) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL2802379 0.83 PDE5A (0.66) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL6628860 0.83 KMT2A (0.85) KMT2AKDM4EPDE5APDE2APDE9A
SCHEMBL16972310 0.83 MTOR (0.68) KMT2AKDM4EPDE5APDE2APDE9A

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-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 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 (2 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-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF KMT2A 4338/4885KDM4E 2662/4885PDE5A 1166/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF KMT2A 4338/4885KDM4E 2662/4885PDE5A 1166/4885

“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.