SCHEMBL6607341

SCHEMBL6607341

CCOc1cc(-c2ccc([N+](=O)[O-])cc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
ACHE P22303 2/20 0.36
MAPT P10636 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 2/20 0.36
NLRP3 Q96P20 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
S1PR4 O95977 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33

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
SCHEMBL6602524 0.86 ADORA1 (0.40) MAPTHTTKMT2AMEN1LMNA
SCHEMBL6602269 0.86 IDO1 (0.37) MAPTKMT2AMEN1LMNARXFP1
SCHEMBL6603578 0.86 RXFP1 (0.36) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6613466 0.85 TP53 (0.43) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6600812 0.84 S1PR1 (0.35) MAPTHTTKMT2AMEN1TDP1
SCHEMBL6606013 0.83 RXFP1 (0.37) MAPTSMN1; SMN2HTTKMT2ALMNA
SCHEMBL6601090 0.82 CYP11B1 (0.45) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL6601651 0.81 RXFP1 (0.36) KMT2AMEN1RXFP1ALDH1A1NCEH1
SCHEMBL6602616 0.81 PTGES (0.35) MAPTHTTKMT2AMEN1LMNA
SCHEMBL6603093 0.81 PTGES (0.34) MAPTSMN1; SMN2HTTKMT2AMEN1

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
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 CNR2 2624/4885CNR1 2984/4885ACHE 4883/4885

“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.