SCHEMBL6296555

SCHEMBL6296555

CC(Cc1ccnc(NCC(=O)NCCc2ccc3c(c2)OCO3)n1)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.48
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.42
NOS1 P29475 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6296550 0.79 NOS2 (0.52) NOS2ALDH1A1NOS1HSD17B10
SCHEMBL5190116 0.78 NOS2 (0.55) NOS2ALDH1A1NOS1HSD17B10
SCHEMBL5190108 0.78 NOS2 (0.55) NOS2ALDH1A1NOS1HSD17B10
SCHEMBL5189987 0.77 NOS2 (0.61) NOS2NOS1
SCHEMBL5190007 0.74 NOS2 (0.61) NOS2NOS1
SCHEMBL5190653 0.74 NOS2 (0.59) NOS2NOS1
SCHEMBL5193611 0.72 NOS2 (0.69) NOS2NOS1
SCHEMBL5190664 0.72 NOS2 (0.62) NOS2NOS1
SCHEMBL5192629 0.72 NOS2 (0.64) NOS2NOS1
SCHEMBL5194495 0.69 NOS2 (0.60) NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846829-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-01-25 US disclosed
US-6670473-B2 Inhibitors of nitric oxide synthase (nos) BERLEX LABORATORIES, INC. 2003-12-30 US disclosed
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-24 US disclosed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 US disclosed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 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 (5 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-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885LMNA 1821/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885LMNA 1821/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885LMNA 1821/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885LMNA 1821/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 328/4885LMNA 1821/4885

“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.