SCHEMBL5449886

SCHEMBL5449886

CCN1CCC(NC2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.69
MAPT P10636 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.46
GFER P55789 1/20 0.46
ALOX15 P16050 2/20 0.45
GLA P06280 1/20 0.45
BRD3 Q15059 1/20 0.42
GAA P10253 1/20 0.42
CASP6 P55212 1/20 0.42
PRMT5 O14744 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.40
CDC42 P60953 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL15278263 0.93 RB1 (0.67) RB1MAPTMEN1KMT2ALMNA
SCHEMBL15278251 0.87 RB1 (0.62) RB1MAPTMEN1KMT2ALMNA
SCHEMBL21996671 0.86 RB1 (0.61) RB1MAPTMEN1KMT2ALMNA
SCHEMBL15278231 0.86 RB1 (0.60) RB1MAPTMEN1KMT2ALMNA
SCHEMBL15278233 0.82 RB1 (1.00) RB1MAPTMEN1KMT2ALMNA
SCHEMBL15278224 0.81 RB1 (0.71) RB1MAPTMEN1KMT2ALMNA
SCHEMBL15278257 0.81 RB1 (0.91) RB1MAPTMEN1KMT2ALMNA
SCHEMBL21994173 0.81 RB1 (0.72) RB1MAPTMEN1KMT2ABRD3
SCHEMBL15278265 0.77 RB1 (0.60) RB1MAPTMEN1KMT2ALMNA
SCHEMBL5434967 0.77 RB1 (0.66) RB1MAPTMEN1KMT2ALMNA

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
WO-2013139929-A1 NOVEL MEANS AND METHODS FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM, METABOLIC AND CARDIAC DISEASES AND AGING LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2013-09-26 WO disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 RB1 1821/4885MAPT 3817/4885MEN1 4748/4885

“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.