SCHEMBL6542743

SCHEMBL6542743

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ LTA4H P09960 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 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 0.83 LMNA (0.42) LMNANPSR1MEN1KMT2AKEAP1
SCHEMBL6485462 0.83 LMNA (0.42) LMNANPSR1MEN1KMT2AKEAP1
SCHEMBL7128377 0.82 LMNA (0.38) LMNANPSR1MEN1KMT2AKEAP1
SCHEMBL7120675 0.80 LMNA (0.40) LMNANPSR1MEN1KMT2AKEAP1
SCHEMBL7159688 0.80 LMNA (0.40) LMNANPSR1MEN1KMT2AKEAP1
SCHEMBL7122695 0.78 KEAP1 (0.39) LMNANPSR1ACKR3MEN1KMT2A
SCHEMBL6358817 0.73 ALDH1A1 (0.35) MEN1KMT2AALDH1A1LTA4HL3MBTL1
SCHEMBL6360210 0.73 ALDH1A1 (0.35) MEN1KMT2AALDH1A1LTA4HL3MBTL1
SCHEMBL6542192 0.73 LMNA (0.50) LMNANPSR1MEN1KMT2AALDH1A1
SCHEMBL6357275 0.71 EPHX2 (0.48) LMNAMEN1KMT2AALDH1A1NLRP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206442-A4 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS UNIV VIRGINIA COMMONWEALTH (US) 2004-12-29 — — EP disclosed
US-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 — — US disclosed
EP-1206442-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2002-05-22 — — EP disclosed
WO-2001014316-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2001-03-01 — — WO 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 4656/4885HCRTR1 4472/4885

“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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