SCHEMBL3325965

SCHEMBL3325965

COc1cc(OCc2ccccc2)cc(-n2cc(C)nc2Br)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MGMT P16455 1/20 0.38
PDE10A Q9Y233 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGER1 P34995 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PDE2A O00408 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL970413 0.84 CRHR1 (0.36) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL13361960 0.83 NPC1 (0.36) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL3327391 0.82 PDE10A (0.51) KMT2AMAPTMEN1PDGFRBPDGFRA
SCHEMBL3325055 0.82 PDE10A (0.43) KMT2AMAPTMEN1PDGFRBPDGFRA
SCHEMBL3330603 0.79 ALOX5 (0.33) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL3326254 0.79 CRHR1 (0.32) KMT2AMAPTMEN1PDE10ASMN1; SMN2
SCHEMBL970040 0.78 ALDH1A1 (0.38) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL968700 0.77 KMT2A (0.33) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL3324746 0.74 PTGS2 (0.35) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL3325859 0.73 AMY1A (0.32) KMT2AMAPTMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 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-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A KMT2A 1501/4885MAPT 3773/4885MEN1 3332/4885

“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.