SCHEMBL25905782

SCHEMBL25905782

CC(C)Nc1ccc(C(=O)N(C)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.45
▸ LIMK2 P53671 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HCAR3 P49019 1/20 0.37
▸ GRM1 Q13255 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ HPGD P15428 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
SCHEMBL25932372 0.86 LIMK2 (0.41) LIMK2HDAC4HTTLMNAGRM1
SCHEMBL24164417 0.85 SMN1; SMN2 (0.50) RXFP1HTTTDP1ALDH1A1LMNA
SCHEMBL25041339 0.84 LIMK2 (0.43) LIMK2HDAC4HTTALDH1A1CYP3A4
SCHEMBL12302001 0.77 ALDH1A1 (0.48) HDAC4HTTTDP1ALDH1A1LMNA
SCHEMBL4503118 0.77 CA1 (0.47) LIMK2HDAC4HTTALDH1A1LMNA
SCHEMBL194039 0.77 RXFP1 (0.53) RXFP1HTTTDP1ALDH1A1LMNA
SCHEMBL23323560 0.76 P4HTM (0.38) RXFP1HDAC4ALDH1A1LMNAHCAR3
SCHEMBL25884637 0.76 HCAR3 (0.65) HDAC4HCAR3
SCHEMBL13034674 0.76 HDAC4 (0.49) HDAC4ALDH1A1GRM1HPGD
SCHEMBL25870881 0.76 USP5 (0.50) LIMK2HDAC4HTTALDH1A1LMNA

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 RXFP1 4718/4885LIMK2 1110/4885HDAC4 1116/4885

“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.

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