SCHEMBL6353471

SCHEMBL6353471

Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)CC(C)C[C@@H](N)C(=O)O)CCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 1/20 0.33
RORC P51449 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL6355468 1.00 LTA4H (0.36) LTA4HALDH1A1MEN1KMT2APOLB
SCHEMBL6362874 0.95 LTA4H (0.39) LTA4HALDH1A1MEN1KMT2APOLB
SCHEMBL6359212 0.95 LTA4H (0.39) LTA4HALDH1A1MEN1KMT2APOLB
SCHEMBL6357002 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6356524 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6362121 0.86 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6360210 0.83 ALDH1A1 (0.35) LTA4HALDH1A1MEN1KMT2APOLB
SCHEMBL6358817 0.83 ALDH1A1 (0.35) LTA4HALDH1A1MEN1KMT2APOLB
SCHEMBL6359180 0.82 SLC1A3 (0.35) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6358103 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBL3MBTL1

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-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers ALLOS THERAPEUTICS, INC. 2005-07-14 US disclosed
US-6894185-B2 Substituted chiral allosteric hemoglobin modifiers Allós Therapeutics, Inc. (US) 2005-05-17 US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 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-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 LTA4H 1714/4885ALDH1A1 4454/4885MEN1 4867/4885

“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.