SCHEMBL25720884

SCHEMBL25720884

COc1c(C(=O)Nc2ccc(F)c(N3CCN(C)CC3)c2)c(=O)n(CC(C)C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
ALOX15 P16050 1/20 0.47
NPY5R Q15761 1/20 0.46
HTR1A P08908 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
HTR2C P28335 2/20 0.45
HTR6 P50406 2/20 0.45
TSHR P16473 2/20 0.43
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 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
SCHEMBL25280405 0.91 HSP90AA1 (0.45) HSP90AA1ALOX15NPY5RHTR1AHTR1D
SCHEMBL24054698 0.90 HSP90AA1 (0.59) HSP90AA1ALOX15TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL25280205 0.89 HSP90AA1 (0.58) HSP90AA1ALOX15TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL30198181 0.89 HSP90AA1 (0.58) HSP90AA1ALOX15TSHRKDM4EMEN1
SCHEMBL25720875 0.88 HSP90AA1 (0.48) HSP90AA1ALOX15NPY5RTSHRKDM4E
Formic Acid SCHEMBL25280406 0.87 HSP90AA1 (0.56) HSP90AA1ALOX15TSHRKDM4EMEN1
SCHEMBL25720843 0.85 USP2 (0.45) HSP90AA1ALOX15TSHRKDM4EMEN1
SCHEMBL25720880 0.85 HSP90AA1 (0.47) HSP90AA1ALOX15NPY5RTSHRKDM4E
SCHEMBL25720839 0.85 MEN1 (0.45) HSP90AA1ALOX15NPY5RTSHRKDM4E
SCHEMBL25720827 0.85 KMT2A (0.51) HSP90AA1ALOX15TSHRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 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 (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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 HSP90AA1 4749/4885ALOX15 1130/4885NPY5R 4504/4885

“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.