SCHEMBL6083500

SCHEMBL6083500

CCC(COC)Nc1nccc(-c2cc(Cl)c(OC)cc2C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
S1PR4 O95977 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6083017 0.89 CRHR1 (0.35) CRHR1MAPTS1PR4MEN1ALDH1A1
SCHEMBL6083009 0.89 CRHR1 (0.35) CRHR1MAPTS1PR4MEN1ALDH1A1
SCHEMBL6082518 0.84 CRHR1 (0.36) CRHR1SMN1; SMN2
SCHEMBL6082318 0.84 CRHR1 (0.41) CRHR1S1PR4
SCHEMBL6082375 0.83 CRHR1 (0.44) CRHR1MAPT
SCHEMBL6082998 0.83 CRHR1 (0.49) CRHR1
SCHEMBL6082105 0.83 CRHR1 (0.46) CRHR1S1PR4
SCHEMBL6817889 0.81 MAPT (0.40) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL6082397 0.80 CRHR1 (0.36) CRHR1MAPTNPC1MEN1ALDH1A1
SCHEMBL6082392 0.80 CRHR1 (0.36) CRHR1MAPTNPC1MEN1ALDH1A1

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-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH CRHR1 1/4885SMN1; SMN2 3700/4885MAPT 3711/4885

“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.