SCHEMBL16181566

SCHEMBL16181566

CNCc1cccc(CNC(=N)N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.54
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
PRMT6 Q96LA8 6/20 0.44
SLC11A2 P49281 1/20 0.42
EPHX2 P34913 1/20 0.41
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
CYP2D6 P10635 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40

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
SCHEMBL16181585 0.85 NOS1 (0.52) NOS1MAPTALDH1A1PKMALOX12
SCHEMBL31540904 0.84 LOXL2 (0.55) NOS1MAPTALDH1A1LMNAPKM
SCHEMBL14470339 0.84 ALDH1A1 (0.46) NOS1MAPTALDH1A1LMNAPKM
SCHEMBL2717977 0.84 PRSS1 (0.55) NOS1MAPTALDH1A1LMNAPKM
SCHEMBL19361212 0.83 NOS1 (0.46) NOS1MAPTALDH1A1LMNAPKM
SCHEMBL20714977 0.83 ROCK2 (0.42) NOS1MAPTALDH1A1LMNAPKM
SCHEMBL10648740 0.82 TAAR1 (0.56) ALDH1A1LMNAKDM4ECYP2D6HPGD
SCHEMBL13892061 0.82 LMNA (0.44) NOS1MAPTALDH1A1LMNAPKM
SCHEMBL16181258 0.81 SLC2A1 (0.45) NOS1MAPTALDH1A1LMNAPKM
SCHEMBL1697126 0.80 MAPT (0.64) NOS1MAPTALDH1A1LMNAPKM

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-8865865-B2 N-terminally modified tetrapeptide derivatives having a C-terminal arginine mimetic PHILIPPS-UNIVERSITAT MARBURG (DE) 2014-10-21 US disclosed
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 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-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP NOS1 310/4885MAPT 548/4885ALDH1A1 4829/4885

“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.