SCHEMBL6083012

SCHEMBL6083012

COCC(C)Nc1nccc(-c2ccc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
SCN9A Q15858 1/20 0.36
FGFR4 P22455 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCAR3 P49019 1/20 0.35
GAA P10253 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
SCHEMBL6083177 0.90 CRHR1 (0.39) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL6082141 0.88 LMNA (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6081726 0.85 S1PR4 (0.39) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6082991 0.83 AAK1 (0.36) NPC1RAB9ASCN9AMEN1KMT2A
SCHEMBL6813721 0.83 MAPT (0.40) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL6818033 0.82 MAPT (0.43) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL6081781 0.80 HCAR3 (0.34) NPC1CYP2D6CYP2C19RAB9AMEN1
SCHEMBL6081867 0.80 NPC1 (0.37) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL6082998 0.77 CRHR1 (0.49)
SCHEMBL6083484 0.77 CRHR1 (0.38) MAPTSMN1; SMN2NPC1RAB9AHCAR3

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 MAPT 3711/4885SMN1; SMN2 3700/4885NPC1 4017/4885

“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.