SCHEMBL23905904

SCHEMBL23905904

CCC1COc2cc(O[C@@H](c3ccncc3)c3ccc(C(N)=O)cc3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PIK3CA P42336 4/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CB P42338 1/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL26159403 1.00 CYP3A4 (0.40) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL32675616 1.00 CYP3A4 (0.40) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26160352 1.00 CYP3A4 (0.40) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL23905941 1.00 CYP3A4 (0.40) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26159402 1.00 CYP3A4 (0.40) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL23905888 1.00 CYP3A4 (0.40) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26159400 1.00 CYP3A4 (0.40) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL23905915 0.91 CYP3A4 (0.38) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26160431 0.91 CYP3A4 (0.38) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26159417 0.91 CYP3A4 (0.38) CYP3A4MAPTMEN1KMT2ASMN1; SMN2

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-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 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-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C CYP3A4 2219/4885MAPT 882/4885MEN1 4121/4885

“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.