SCHEMBL25932371

SCHEMBL25932371

CC(S)Nc1ccc(C(=O)N(C)C(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 11/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ RIOX2 Q8IUF8 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL23323560 0.88 P4HTM (0.38) P4HTMALDH1A1HDAC3HDAC1HDAC8
SCHEMBL25905785 0.80 ADRA2A (0.40) P4HTMALDH1A1HDAC3HDAC1HDAC8
SCHEMBL23342776 0.80 ALDH1A1 (0.46) P4HTMALDH1A1HDAC3HDAC1HDAC8
SCHEMBL25932372 0.77 LIMK2 (0.41) HDAC4MAPTLMNAHPGD
SCHEMBL23325914 0.71 P4HTM (0.36) P4HTMALDH1A1HDAC3HDAC1HDAC8
SCHEMBL12862942 0.67 ALDH1A1 (0.53) P4HTMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19156381 0.67 P4HTM (0.42) P4HTMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28294216 0.65 P4HTM (0.50) P4HTMALDH1A1HDAC3HDAC1HDAC8
SCHEMBL25905782 0.64 RXFP1 (0.45) ALDH1A1HDAC4LMNAHPGDHSD17B10
SCHEMBL25041234 0.64 ADRA2A (0.44) P4HTMHDAC3HDAC1HDAC8HDAC4

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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — 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 (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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR P4HTM 3634/4885ALDH1A1 4528/4885HDAC3 1181/4885

“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.

Send feedback