SCHEMBL19805953

SCHEMBL19805953

CCc1ccnc(N(C)CO)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
RECQL P46063 1/20 0.35
POLB P06746 2/20 0.35
TRPA1 O75762 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
RIOK2 Q9BVS4 1/20 0.33
PKM P14618 1/20 0.33
GRIN2B Q13224 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PROKR1 Q8TCW9 1/20 0.30
CTSA P10619 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL805472 0.81 NOS3 (0.53) NOS3NOS1NOS2POLBTRPA1
SCHEMBL17826556 0.81 HRH3 (0.51) NOS3NOS1NOS2POLBHRH3
SCHEMBL17345650 0.77 NOS1 (0.42) NOS3NOS1NOS2POLBSMYD3
SCHEMBL19159781 0.77 NOS3 (0.42) NOS3NOS1NOS2HRH3
SCHEMBL17303520 0.77 HCRTR1 (0.39) NOS3NOS1NOS2SMYD3RIOK2
SCHEMBL20889909 0.76 NOS3 (0.44) NOS3NOS1NOS2POLBSMYD3
SCHEMBL21019956 0.76 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL10444825 0.76 NOS3 (0.52) NOS3NOS1NOS2TRPA1SMYD3
SCHEMBL20889612 0.75 NOS3 (0.47) NOS3NOS1NOS2TRPA1SMYD3
SCHEMBL20890563 0.75 NOS3 (0.47) NOS3NOS1NOS2POLBTRPA1

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
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 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 (2 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-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB NOS3 2375/4885NOS1 1894/4885NOS2 2146/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB NOS3 2375/4885NOS1 1894/4885NOS2 2146/4885

“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.