SCHEMBL7159688

SCHEMBL7159688

Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C(=O)C3CCCC3)C(C)[C@@H](N)C(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KEAP1 Q14145 3/20 0.39
▸ NFE2L2 Q16236 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL7120675 1.00 LMNA (0.40) LMNANPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL7126468 0.93 LMNA (0.42) LMNANPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL6485462 0.93 LMNA (0.42) LMNANPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL7128377 0.87 LMNA (0.38) LMNANPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL7122695 0.86 KEAP1 (0.39) LMNANPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL6542743 0.80 LMNA (0.37) LMNANPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL8700410 0.78 ALDH1A1 (0.47) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6357275 0.76 EPHX2 (0.48) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6542192 0.76 LMNA (0.50) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL19602224 0.74 ALDH1A1 (0.49) LMNAALDH1A1MAPTMEN1KMT2A

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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 — — 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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 LMNA 4362/4885NPSR1 4656/4885KEAP1 1093/4885

“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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