SCHEMBL16181585

SCHEMBL16181585

CNCc1ccc(CNC(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.52
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NCF1 P14598 1/20 0.40
TPSAB1 Q15661 3/20 0.38
ST14 Q9Y5Y6 1/20 0.37
ADRB2 P07550 1/20 0.37
PRSS1 P07477 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3672272 0.89 CYP2C9 (0.48) NOS1LOXL2MAPTCYP2C9CYP2C19
SCHEMBL16181566 0.85 NOS1 (0.54) NOS1NOS3NOS2MAPTKDM4E
SCHEMBL23135392 0.84 ADRA2A (0.41) NOS1NOS3NOS2CYP2C9CYP2C19
SCHEMBL11981491 0.83 IDO1 (0.52) MAPTCYP2C9CYP2C19CA1CA2
SCHEMBL4100287 0.83 IDO1 (0.52) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL13879953 0.83 CYP2C9 (0.41) NOS1NOS3NOS2MAPTCYP2C9
Hydrochloric Acid SCHEMBL19520755 0.82 IDO1 (0.53) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL14686209 0.81 TPSAB1 (0.59) NOS1NOS3NOS2LOXL2CYP2C9
SCHEMBL6881703 0.81 CYP2C9 (0.42) NOS1MAPTCYP2C9CYP2C19CA1
SCHEMBL6881708 0.81 EPHX2 (0.45) NOS1LOXL2CYP3A4CYP2C9CYP2C19

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 310/4885NOS3 468/4885NOS2 632/4885

“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.