SCHEMBL6082397

SCHEMBL6082397

CCC(COC)Nc1nccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.36
MAPT P10636 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL6082392 1.00 CRHR1 (0.36) CRHR1MAPTCCNA2CDK2MEN1
SCHEMBL6082998 0.84 CRHR1 (0.49) CRHR1
SCHEMBL6082105 0.82 CRHR1 (0.46) CRHR1
SCHEMBL6083500 0.80 CRHR1 (0.36) CRHR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6082318 0.80 CRHR1 (0.41) CRHR1
SCHEMBL6083177 0.80 CRHR1 (0.39) CRHR1MAPTMEN1KMT2ANPC1
SCHEMBL6082899 0.79 CRHR1 (0.39) CRHR1TAS1R3TAS1R1
SCHEMBL6082450 0.78 CRHR1 (0.36) CRHR1
SCHEMBL6082375 0.76 CRHR1 (0.44) CRHR1MAPTTDP1KDM4E
SCHEMBL18359454 0.76 PGK1 (0.48) MAPTMEN1KMT2ATDP1KDM4E

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 2 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

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 1/4885MAPT 3711/4885CCNA2 583/4885

“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.