SCHEMBL6359207

SCHEMBL6359207

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 4/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL6362871 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6356994 0.90 THRA (0.39) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6356523 0.90 THRA (0.39) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL7657951 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6362116 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6359174 0.89 MEN1 (0.41) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6355462 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6353468 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6359176 0.89 MEN1 (0.41) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL6357946 0.88 ALDH1A1 (0.38) 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 4 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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 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 (2 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 ALDH1A1 4454/4885MEN1 4867/4885KMT2A 1425/4885
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.