SCHEMBL646817

SCHEMBL646817

C=CCc1ccc([O])nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
XDH P47989 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ALDH2 P05091 1/20 0.38

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
SCHEMBL4948816 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2XDHTP53
SCHEMBL11124858 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4SMN1; SMN2XDHTP53
SCHEMBL12697280 0.75 GAA (0.46) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL8585824 0.75 GABRA1 (0.48) ALDH1A1CYP3A4SMN1; SMN2XDHTP53
SCHEMBL3804734 0.75 CYP11B1 (0.42) ALDH1A1CYP3A4SMN1; SMN2XDHTP53
SCHEMBL10750317 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4SMN1; SMN2XDHTP53
SCHEMBL3049208 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4SMN1; SMN2XDHTP53
Hydrochloric Acid SCHEMBL9281543 0.73 GAA (0.44) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL3881081 0.73 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2XDHTP53
SCHEMBL10432643 0.73 P4HTM (0.62) ALDH1A1CYP3A4ALOX15TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US claimed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US claimed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP claimed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP claimed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO claimed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 ALDH1A1 2697/4885CYP3A4 1515/4885SMN1; SMN2 1753/4885

“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.