SCHEMBL3558347

SCHEMBL3558347

CCOC(=O)CNCc1cc(C)nc(-n2ccnc2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.55
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOS1 P29475 2/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CXCR2 P25025 3/20 0.37
CD38 P28907 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
SCHEMBL3560941 0.78 KDM4E (0.45) NOS2KDM4EMEN1MITFALDH1A1
SCHEMBL3559041 0.76 NOS2 (0.44) NOS2KDM4EMEN1MITFALDH1A1
SCHEMBL25485897 0.75 KDM4E (0.45) NOS2KDM4EMEN1MITFALDH1A1
SCHEMBL3559045 0.72 ALDH1A1 (0.41) NOS2KDM4EMEN1MITFALDH1A1
SCHEMBL13037135 0.72 NOS2 (1.00) NOS2NOS1
SCHEMBL13037152 0.71 ALDH1A1 (0.42) NOS2KDM4EMEN1MITFALDH1A1
SCHEMBL3560003 0.71 TSHR (0.43) NOS2KDM4EMEN1MITFALDH1A1
SCHEMBL3562852 0.71 NOS2 (0.46) NOS2KDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3561787 0.70 NOS2 (0.45) NOS2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL22854576 0.70 KMT2A (0.48) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885KDM4E 1567/4885MEN1 4731/4885

“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.