SCHEMBL9753081

SCHEMBL9753081

CCc1ccc(C)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.43
NOS3 P29474 8/20 0.43
TKT P29401 1/20 0.40
NOS1 P29475 4/20 0.39
HEXA P06865 3/20 0.37
HEXB P07686 3/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
DHFR P00374 2/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 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
SCHEMBL28084073 0.82 NOS2 (0.47) NOS2NOS3NOS1KDM4EPOLB
SCHEMBL10399548 0.81 NOS3 (0.39) NOS2NOS3TKTNOS1HEXA
SCHEMBL18611206 0.79 TDP1 (0.36) NOS2NOS3TKTPARP1
SCHEMBL10730430 0.78 NOS3 (0.46) NOS2NOS3TKTNOS1HEXA
SCHEMBL10162551 0.77 NOS3 (0.36) NOS2NOS3TKTHEXAHEXB
SCHEMBL5532296 0.77 PARP1 (0.39) NOS2NOS3TKTPARP1KDM4E
SCHEMBL20110642 0.76 ALDH1A1 (0.35) NOS2NOS3TKTNOS1PARP1
SCHEMBL11814271 0.76 MEN1 (0.35) NOS2NOS3TKTNOS1HEXA
SCHEMBL27965565 0.76 NOS3 (0.35) NOS2NOS3NOS1KDM4EPOLB
SCHEMBL21604163 0.74 NOS3 (0.42) NOS2NOS3TKTNOS1HEXA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149408-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2023-05-18 US disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 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 (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-20230149408-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION POLR2H, POLR2E, EIF2AK2 NOS2 2892/4885NOS3 3431/4885TKT 1804/4885
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 NOS2 3595/4885NOS3 3633/4885TKT 160/4885

“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.