SCHEMBL26196832

SCHEMBL26196832

CC(=O)c1nccn1CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
TEAD3 Q99594 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL26196844 0.92 TEAD3 (0.41) MAOBMAOATEAD3HDAC3HDAC4
SCHEMBL23043142 0.87 SMN1; SMN2 (0.43) MAOBMAOATEAD3HDAC3HDAC4
SCHEMBL24129178 0.87 LTA4H (0.38) MAOBMAOATEAD3HDAC3HDAC4
SCHEMBL23053810 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL1345858 0.79 RAB9A (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23043559 0.77 LTA4H (0.40) TEAD3HDAC3HDAC4HDAC1HDAC7
SCHEMBL26196843 0.77 TDP1 (0.43) MAOBMAOAHDAC3HDAC4HDAC1
SCHEMBL26046366 0.77 LTA4H (0.40) MAOBMAOALMNA
SCHEMBL23043387 0.76 LTA4H (0.43) MAOBMAOATEAD3HDAC3HDAC4
SCHEMBL24127752 0.76 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2LMNA

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-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS MAOB 4848/4885MAOA 4869/4885TEAD3 334/4885

“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.