SCHEMBL17345650

SCHEMBL17345650

CCc1ccnc(N(C)CCNC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
NOS3 P29474 1/20 0.42
PRMT6 Q96LA8 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
PIK3CD O00329 4/20 0.34
HRH4 Q9H3N8 3/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
POLB P06746 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
SCHEMBL17826556 0.82 HRH3 (0.51) NOS1NOS2NOS3HRH3SIGMAR1
SCHEMBL15829834 0.81 NOS2 (0.44) NOS1NOS2NOS3HRH3PIK3CD
SCHEMBL15834048 0.80 NOS3 (0.36) NOS1NOS2NOS3HRH3SMYD3
SCHEMBL19159781 0.78 NOS3 (0.42) NOS1NOS2NOS3HRH3HRH4
SCHEMBL16217384 0.77 NOS1 (0.36) NOS1NOS2HRH3PIK3CDHRH4
SCHEMBL19805953 0.77 NOS3 (0.47) NOS1NOS2NOS3HRH3SMYD3
SCHEMBL805472 0.76 NOS3 (0.53) NOS1NOS2NOS3SMYD3POLB
SCHEMBL17303520 0.75 HCRTR1 (0.39) NOS1NOS2NOS3HRH3SMYD3
SCHEMBL20890563 0.73 NOS3 (0.47) NOS1NOS2NOS3HRH3SMYD3
SCHEMBL726956 0.73 CYP2C19 (0.51) NOS1NOS2HRH3POLB

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-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 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-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 NOS1 466/4885NOS2 481/4885NOS3 608/4885

“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.