SCHEMBL7601797

SCHEMBL7601797

Cc1ccc(CN(C)CCO)cc1N=C(N)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 11/20 0.46
NOS1 P29475 11/20 0.46
KCNH2 Q12809 1/20 0.46
NOS2 P35228 6/20 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
Hydrochloric Acid SCHEMBL7603678 0.99 NOS3 (0.47) NOS3NOS1KCNH2NOS2
SCHEMBL7597758 0.81 NOS1 (0.65) NOS3NOS1KCNH2NOS2
SCHEMBL7970441 0.81 NOS1 (0.47) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7601205 0.81 NOS3 (0.64) NOS3NOS1KCNH2NOS2
Hydrochloric Acid SCHEMBL7599407 0.80 NOS1 (0.46) NOS3NOS1NOS2
SCHEMBL7603645 0.80 NOS1 (0.43) NOS3NOS1KCNH2NOS2
Hydrochloric Acid SCHEMBL7602831 0.79 NOS1 (0.45) NOS3NOS1KCNH2NOS2
Hydrochloric Acid SCHEMBL7970589 0.76 NOS1 (0.46) NOS3NOS1KCNH2NOS2
SCHEMBL7598818 0.76 NOS3 (0.55) NOS3NOS1KCNH2NOS2
SCHEMBL5684811 0.74 NOS1 (0.54) NOS3NOS1NOS2

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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885KCNH2 3677/4885

“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.