SCHEMBL3327965

SCHEMBL3327965

COC(=O)C=Cc1sc(Cc2ccccc2)cc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3327955 1.00 POLB (0.37) POLBMAP3K7TAB1KMT2ASMN1; SMN2
SCHEMBL3327977 0.82 POLB (0.37) POLBMAP3K7TAB1KMT2ASMN1; SMN2
SCHEMBL3327978 0.82 POLB (0.37) POLBMAP3K7TAB1KMT2ASMN1; SMN2
SCHEMBL3328006 0.82 POLB (0.37) POLBMAP3K7TAB1KMT2ASMN1; SMN2
SCHEMBL3326926 0.81 ADORA2A (0.33) ALDH1A1HPGDLMNA
SCHEMBL3326900 0.81 CCNC (0.38) POLBKMT2ASMN1; SMN2KDM4EIP6K1
SCHEMBL3327312 0.75 IKBKB (0.38) KMT2ASMN1; SMN2KDM4ECCNCCDK8
SCHEMBL3327306 0.75 IKBKB (0.38) KMT2ASMN1; SMN2KDM4ECCNCCDK8
SCHEMBL3597483 0.73 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1HPGDLMNATSHR
SCHEMBL3328313 0.72 PIM1 (0.41) POLBKMT2AKDM4EALDH1A1HPGD

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 POLB 2264/4885MAP3K7 4730/4885TAB1 4404/4885

“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.