SCHEMBL3329387

SCHEMBL3329387

O=C(O)C=Cc1sc(-c2ccc(-c3ccccc3)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
PTGER1 P34995 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
PLA2G10 O15496 1/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ALOX5 P09917 1/20 0.32
PTP4A3 O75365 2/20 0.32
IKBKB O14920 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 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
SCHEMBL3329383 1.00 CCNC (0.34) CCNCCDK8IP6K1IP6K3IP6K2
SCHEMBL3327333 0.90 PTPN1 (0.36) RAB9AMEN1KMT2AIKBKBMAPT
SCHEMBL3327323 0.90 PTPN1 (0.36) RAB9AMEN1KMT2AIKBKBMAPT
SCHEMBL3326900 0.88 CCNC (0.38) CCNCCDK8IP6K1IP6K3IP6K2
SCHEMBL3326376 0.81 CCNC (0.35) CCNCCDK8IP6K1IP6K3IP6K2
SCHEMBL3326373 0.81 CCNC (0.35) CCNCCDK8IP6K1IP6K3IP6K2
SCHEMBL3327312 0.78 IKBKB (0.38) CCNCCDK8RAB9AMEN1KMT2A
SCHEMBL3327306 0.78 IKBKB (0.38) CCNCCDK8RAB9AMEN1KMT2A
SCHEMBL3326395 0.72 PDPK1 (0.35) RAB9AMEN1KMT2AIKBKBHDAC6
SCHEMBL3328685 0.72 KMT2A (0.35) CCNCCDK8RAB9AMEN1KMT2A

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-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
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 CCNC 2580/4885CDK8 4577/4885IP6K1 4628/4885

“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.