SCHEMBL6356524

SCHEMBL6356524

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
CTSK P43235 1/20 0.34
RORC P51449 1/20 0.34
NLRP3 Q96P20 1/20 0.34
NPC1 O15118 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
SCHEMBL6357002 1.00 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL6362121 0.92 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL6359180 0.91 SLC1A3 (0.35) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL6359212 0.91 LTA4H (0.39) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL6362874 0.91 LTA4H (0.39) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL6355468 0.88 LTA4H (0.36) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL6353471 0.88 LTA4H (0.36) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL6360210 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6358817 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6358103 0.82 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 ALDH1A1 4454/4885MEN1 4867/4885KMT2A 1425/4885

“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.