SCHEMBL7122695

SCHEMBL7122695

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.39
▸ NFE2L2 Q16236 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ REN P00797 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL7126468 0.87 LMNA (0.42) KEAP1NFE2L2LMNANPSR1MAPT
SCHEMBL6485462 0.87 LMNA (0.42) KEAP1NFE2L2LMNANPSR1MAPT
SCHEMBL7120675 0.86 LMNA (0.40) KEAP1NFE2L2LMNANPSR1MAPT
SCHEMBL7159688 0.86 LMNA (0.40) KEAP1NFE2L2LMNANPSR1MAPT
SCHEMBL7128377 0.85 LMNA (0.38) KEAP1NFE2L2LMNANPSR1MAPT
SCHEMBL6542743 0.78 LMNA (0.37) KEAP1NFE2L2LMNANPSR1MAPT
SCHEMBL6355171 0.74 SMN1; SMN2 (0.52) LMNANPSR1MAPTALDH1A1MEN1
SCHEMBL6357275 0.74 EPHX2 (0.48) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6542192 0.74 LMNA (0.50) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL8700410 0.73 ALDH1A1 (0.47) LMNAMAPTALDH1A1MEN1KMT2A

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 KEAP1 1093/4885NFE2L2 569/4885LMNA 4362/4885

“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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