SCHEMBL13633898

SCHEMBL13633898

CC1=Nc2ccccc2C(O)N1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.36
NOS3 P29474 3/20 0.36
NOS2 P35228 3/20 0.36
NSD2 O96028 1/20 0.36
HSP90AB1 P08238 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 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
SCHEMBL21125426 0.78 GPR3 (0.42) NOS1NOS3NOS2NSD2
SCHEMBL18659117 0.69 NSD2 (0.39) NOS1NOS3NOS2NSD2MEN1
Peganole SCHEMBL30368933 0.66 KLK7 (0.50) NOS1NOS3NOS2MEN1KMT2A
Peganole SCHEMBL4111529 0.66 KLK7 (0.50) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL17555026 0.65 MAOA (0.33)
SCHEMBL6451245 0.65 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL21086644 0.64 LMNA (0.40) MEN1KMT2AATM
SCHEMBL21339327 0.64 NOS1 (0.37) NOS1NOS3NOS2
SCHEMBL7491186 0.64 NOS3 (0.33) NOS1NOS3NOS2
SCHEMBL9583619 0.64 MAOB (0.44) NOS3NOS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 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 (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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 NOS1 4816/4885NOS3 4528/4885NOS2 4697/4885

“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.