SCHEMBL20134922

SCHEMBL20134922

CCOC(=O)c1ccc(CCC#N)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
NMT1 P30419 3/20 0.41
P2RY12 Q9H244 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL28859561 0.84 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL18940424 0.82 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL20135379 0.82 P2RY12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL879216 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2772711 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1287501 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9529349 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7930158 0.78 LMNA (0.53) CA12CA1CA2CA7CA9
SCHEMBL14562255 0.77 ACACB (0.57) CA12CA1CA2CA7CA9
SCHEMBL18940470 0.77 CA12 (0.53) CA12CA1CA2CA7CA9

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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 (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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CA12 1365/4885CA1 1423/4885CA2 579/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CA12 1251/4885CA1 1245/4885CA2 470/4885

“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.