SCHEMBL2950340

SCHEMBL2950340

CCC(Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
PDK1 Q15118 1/20 0.39
PPARA Q07869 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
XDH P47989 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
HCAR3 P49019 2/20 0.36
GRIA2 P42262 1/20 0.36

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
SCHEMBL2950345 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FFAR1ALDH1A1GAAHPGD
SCHEMBL23524596 0.82 SMN1; SMN2 (0.38) SMN1; SMN2FFAR1ALDH1A1GAAHPGD
SCHEMBL6863626 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAAHPGDPPARA
SCHEMBL15941562 0.80 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1PPARAHTTTDP1
SCHEMBL10788442 0.80 TTR (0.49) SMN1; SMN2ALDH1A1HPGDPDK1PPARA
SCHEMBL7447401 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PDK1PPARAXDH
SCHEMBL7508888 0.78 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1GAAHPGDHTT
SCHEMBL8383429 0.77 TTR (0.47) SMN1; SMN2ALDH1A1GAAPDK1PPARA
SCHEMBL707380 0.77 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL709158 0.77 POLB (0.50) SMN1; SMN2ALDH1A1GAAHPGDPDK1

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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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 (2 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 SMN1; SMN2 1220/4885FFAR1 2872/4885ALDH1A1 4201/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 SMN1; SMN2 1220/4885FFAR1 2872/4885ALDH1A1 4201/4885

“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.