Sugi Predict

Sugi Predict / Compounds / SCHEMBL6347201

SCHEMBL6347201

SCHEMBL6347201

COc1cc(OC(F)(F)F)ccc1-c1c(C)cc([N+](=O)[O-])c[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CRHR1 P34998 3/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ FFAR4 Q5NUL3 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
SCHEMBL6343330 0.77 SCN9A (0.43) SCN9AALDH1A1CRHR1TLR2TLR1
SCHEMBL4881349 0.77 CRHR1 (0.43) SCN9ACRHR1NPSR1GPR3LMNA
SCHEMBL6603350 0.76 FFAR4 (0.38) SCN9ACRHR1HTTSMN1; SMN2LMNA
SCHEMBL13581047 0.72 HTT (0.49) TLR2TLR1MAPTHTTMEN1
SCHEMBL6348992 0.70 CRHR1 (0.51) SCN9AALDH1A1CRHR1MAPTMEN1
SCHEMBL4628316 0.69 CRHR1 (0.43) SCN9ACRHR1MEN1KMT2ASMN1; SMN2
SCHEMBL4628330 0.69 CRHR1 (0.43) SCN9ACRHR1MEN1KMT2ASMN1; SMN2
SCHEMBL10775324 0.68 MAPT (0.45) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL10262523 0.68 ALDH1A1 (0.49) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4881928 0.67 CRHR1 (0.54) SCN9ACRHR1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines HUANG JIANHUA (US) 2005-08-11 — — US disclosed
US-6887875-B2 Bind with high selectivity and/ or high affinity to CRF1 receptors (Corticotropin Releasing Factor 1 Receptors), useful for treating psychiatric and neurological diseases, including depression, anxiety and post trauma stress NEUROGEN CORPORATION (US) 2005-05-03 — — US disclosed
EP-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 — — EP disclosed
US-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines NEUROGEN CORPORATION 2003-06-26 — — US disclosed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 — — 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 (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-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines CRHR2, CRHR1, CRH SCN9A 4209/4885ALDH1A1 1655/4885CRHR1 2/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH SCN9A 4071/4885ALDH1A1 1821/4885CRHR1 2/4885

“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.