SCHEMBL26319315

SCHEMBL26319315

CC(C)(C)C(=O)OC/C=C/c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.41
KMT2A Q03164 2/20 0.41
TK1 P04183 1/20 0.39
APP P05067 2/20 0.38
CACNA1B Q00975 2/20 0.38
LMNA P02545 2/20 0.37
MAOA P21397 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 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
SCHEMBL28106173 0.84 MMP1 (0.50) KMT2ACACNA1BLMNAMEN1NPC1
SCHEMBL28190163 0.81 LMNA (0.51) CYP19A1KMT2ALMNACYP3A4MEN1
SCHEMBL17445703 0.81 KMT2A (0.39) KMT2ATK1CACNA1BLMNACYP1A2
SCHEMBL15457003 0.79 CYP19A1 (0.42) CYP19A1KMT2AAPPCACNA1BLMNA
SCHEMBL1753615 0.79 ABCB1 (0.42) KMT2ATK1APPCACNA1BLMNA
SCHEMBL5050338 0.78 CYP19A1 (0.41) CYP19A1KMT2AAPPCACNA1BLMNA
SCHEMBL5050210 0.78 CYP4F2 (0.44) CYP19A1KMT2AAPPCACNA1BLMNA
SCHEMBL19462887 0.75 APP (0.44) CYP19A1KMT2AAPPCACNA1BLMNA
SCHEMBL5050208 0.75 APP (0.44) CYP19A1KMT2AAPPCACNA1BLMNA
SCHEMBL5050194 0.74 KMT2A (0.33) CYP19A1KMT2ACACNA1BLMNAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2023-09-21 US disclosed
US-20230128499-A1 BISPECIFIC COMBINATION THERAPY FOR TREATING PROLIFERATIVE DISEASES AND AUTOIMMUNE DISEASES NOVARTIS AG (CH) 2023-04-27 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-20230128499-A1 BISPECIFIC COMBINATION THERAPY FOR TREATING PROLIFERATIVE DISEASES AND AUTOIMMUNE DISEASES CD2, CD22, CD2BP2 CYP19A1 4823/4885KMT2A 1035/4885TK1 1357/4885
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF EPCAM, CD40, BCR CYP19A1 2165/4885KMT2A 2556/4885TK1 1588/4885

“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.