SCHEMBL4301791

SCHEMBL4301791

CCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
HCAR3 P49019 3/20 0.55
MAPT P10636 9/20 0.51
GAA P10253 3/20 0.51
TDP1 Q9NUW8 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 7/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL8742128 1.00 CRHBP (0.56) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL7997158 0.88 CRHBP (0.54) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL9509221 0.88 CRHBP (0.54) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL1875530 0.87 CRHBP (0.52) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL1875534 0.87 CRHBP (0.52) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL6129750 0.87 CRHBP (0.57) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL21626406 0.87 CRHBP (0.57) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL6129749 0.87 CRHBP (0.57) CRHBPCRHR2HCAR3MAPTGAA
SCHEMBL4867742 0.86 HCAR3 (0.55) HCAR3MAPTGAATDP1MAPK1
SCHEMBL21728986 0.86 CRHBP (0.53) CRHBPCRHR2HCAR3MAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 US disclosed
WO-1998013119-A1 CROSSLINKED PROTEIN CRYSTALS AS UNIVERSAL SEPARATION MEDIA ALTUS BIOLOGICS INC. (US) 1998-04-02 WO disclosed
EP-0418654-B1 Coupler-type optical switch and process for producing the same SUMITOMO ELECTRIC INDUSTRIES (JP) 1994-12-21 EP disclosed
US-5108200-A Medium surrounding photocoupler contains optic material who refrative index changes by action of electric or magnetic field SUMITOMO ELECTRIC INDUSTRIES LTD. (JP) 1992-04-28 US disclosed
EP-0418654-A1 Coupler-type optical switch and process for producing the same SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-03-27 EP 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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 CRHBP 2071/4885CRHR2 3817/4885HCAR3 2510/4885

“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.