SCHEMBL353413

SCHEMBL353413

CCOC(=O)c1nnccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
BRD4 O60885 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PDE4A P27815 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5767934 0.84 TSHR (0.52) CYP1A2TP53ALOX12BRD4TSHR
SCHEMBL4164596 0.83 ALDH1A1 (0.47) CYP1A2TP53ALOX12BRD4TSHR
SCHEMBL30009206 0.81 NPSR1 (0.45) TP53TSHRKDM4EMAPK1KMT2A
SCHEMBL30937589 0.79 CTDSP1 (0.36) CYP1A2CTDSP1ALDH1A1MAPT
SCHEMBL26081243 0.78 TSHR (0.49) CYP1A2TP53ALOX12BRD4TSHR
SCHEMBL25242507 0.77 TP53 (0.41) CYP1A2TP53ALOX12BRD4TSHR
SCHEMBL31208542 0.77 TP53 (0.41) CYP1A2TP53ALOX12BRD4TSHR
SCHEMBL26081244 0.76 TSHR (0.46) CYP1A2TP53ALOX12BRD4TSHR
SCHEMBL29171022 0.75 KDM4E (0.42) CYP1A2TP53ALOX12TSHRKDM4E
SCHEMBL108857 0.75 BRD4 (0.63) CYP1A2BRD4TSHRKDM4EPDE4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA CYP1A2 2181/4885TP53 2889/4885ALOX12 4583/4885

“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.