SCHEMBL2546975

SCHEMBL2546975

Cn1c(NO)nc2c3ncccc3ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.50
CCR8 P51685 4/20 0.50
LMNA P02545 4/20 0.50
CCR5 P51681 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.50
GMNN O75496 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50

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
SCHEMBL83775 0.79 PDE10A (0.48) LMNAMAPTKDM4ECYP3A4PDE10A
SCHEMBL28649569 0.78 LMNA (0.53) CCR1CCR8LMNACCR5TDP1
SCHEMBL10277172 0.77 PDE10A (0.56) CCR1CCR8LMNACCR5TDP1
Phenanthroline SCHEMBL31365745 0.75 CCR1 (0.80) CCR1CCR8LMNACCR5TDP1
SCHEMBL27940741 0.75 PDE10A (0.54) CCR1CCR8LMNACCR5TDP1
SCHEMBL10277537 0.74 CCR1 (0.48) CCR1CCR8LMNACCR5TDP1
Phenanthroline SCHEMBL9343811 0.73 KDM4E (0.84) CCR1CCR8LMNACCR5TDP1
Phenanthroline SCHEMBL27878295 0.71 KDM4E (0.80) CCR1CCR8LMNACCR5TDP1
SCHEMBL6930708 0.71 MT-CO1 (0.45) LMNAMAPTSMN1; SMN2KDM4EHTT
Phenanthroline SCHEMBL29367277 0.71 CCR1 (1.00) CCR1CCR8LMNACCR5TDP1

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-8334125-B2 Nucleic acids encoding nitrilases VERENIUM CORPORATION (US) 2012-12-18 US disclosed
US-20110263839-A1 Nucleic Acids Encoding Nitrilases VERENIUM CORPORATION (US) 2011-10-27 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-20110263839-A1 Nucleic Acids Encoding Nitrilases RNGTT, NSUN2, DNTT CCR1 4816/4885CCR8 4494/4885LMNA 1303/4885

“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.