SCHEMBL13348019

SCHEMBL13348019

N/C1=C(\N)CCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.40
NOS1 P29475 7/20 0.40
NOS2 P35228 7/20 0.40
ALDH1A1 P00352 3/20 0.38
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ACHE P22303 2/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
MAPK1 P28482 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
SCHEMBL12514471 1.00 NOS3 (0.40) NOS3NOS1NOS2ALDH1A1TRIM24
SCHEMBL13348018 1.00 NOS3 (0.40) NOS3NOS1NOS2ALDH1A1TRIM24
SCHEMBL3676791 1.00 NOS3 (0.40) NOS3NOS1NOS2ALDH1A1TRIM24
SCHEMBL12514645 1.00 NOS3 (0.40) NOS3NOS1NOS2ALDH1A1TRIM24
SCHEMBL3676789 1.00 NOS3 (0.40) NOS3NOS1NOS2ALDH1A1TRIM24
SCHEMBL541379 0.95
SCHEMBL3668918 0.86
SCHEMBL20345766 0.81 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1TRIM24
SCHEMBL20614683 0.75
SCHEMBL21426017 0.75 NOS3 (0.32) NOS3NOS1NOS2KDM4E

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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 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 (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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE NOS3 133/4885NOS1 182/4885NOS2 118/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE NOS3 133/4885NOS1 182/4885NOS2 118/4885

“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.