SCHEMBL23342776

SCHEMBL23342776

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HDAC3 O15379 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CYP2C19 P33261 2/20 0.41

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 0.82 P4HTM (0.38) ALDH1A1RAB9ANPC1SMN1; SMN2HDAC3
SCHEMBL25905785 0.80 ADRA2A (0.40) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC8
SCHEMBL25932371 0.80 P4HTM (0.36) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL12545781 0.77 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL16252551 0.73 SMN1; SMN2 (0.54) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL9764596 0.72 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL24670521 0.72 SMN1; SMN2 (0.52) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL28294216 0.71 P4HTM (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2HDAC3
SCHEMBL24671110 0.70 SMN1; SMN2 (0.57) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL9350553 0.70 KMT2A (0.68) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1

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-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 — — US disclosed
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
US-20210130326-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 — — 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 (3 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS ALDH1A1 3951/4885RAB9A 39/4885NPC1 2278/4885
US-20210130326-A1 RAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 4437/4885RAB9A 37/4885NPC1 2693/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ALDH1A1 4528/4885RAB9A 132/4885NPC1 2014/4885

“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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