SCHEMBL26313498

SCHEMBL26313498

CCCC(Oc1nc(C)ccc1C#N)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 4/20 0.38
NOS2 P35228 4/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A2 P23975 2/20 0.38
KCNA5 P22460 3/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.36
KCNE1 P15382 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HSD17B10 Q99714 1/20 0.35
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL26316188 0.90 NOS2 (0.47) GAASMN1; SMN2MEN1KMT2ASLC6A4
SCHEMBL26313486 0.83 NOS2 (0.46) GAASLC6A4NOS2CYP2D6SLC6A2
SCHEMBL26313497 0.78 ALDH1A1 (0.39) GAASMN1; SMN2MEN1KMT2ASLC6A4
SCHEMBL13780062 0.74 MEN1 (0.38) GAASMN1; SMN2MEN1KMT2ASLC6A4
SCHEMBL26313488 0.74 SLC6A4 (0.46) KMT2ASLC6A4NOS2CYP2D6SLC6A2
SCHEMBL4200077 0.73 AR (0.51)
SCHEMBL26313501 0.73 SLC6A4 (0.51) SMN1; SMN2MEN1KMT2ASLC6A4NOS2
SCHEMBL25412117 0.72 NOS2 (0.46) GAASLC6A4NOS2CYP2D6SLC6A2
SCHEMBL25409866 0.72 NOS2 (0.57) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL25411357 0.72 NOS2 (0.57) SLC6A4NOS2CYP2D6SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 GAA 1969/4885SMN1; SMN2 2101/4885MEN1 2794/4885

“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.