SCHEMBL6356921

SCHEMBL6356921

Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)O)CCCC3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.54
▸ KMT2A Q03164 4/20 0.51
▸ ECE1 P42892 6/20 0.50
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TACR1 P25103 6/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6362899 1.00 P2RY14 (0.54) P2RY14KMT2AECE1POLBMEN1
SCHEMBL6361384 0.86 ITGB3 (0.48) KMT2AMEN1
SCHEMBL6362766 0.86 ITGB3 (0.48) KMT2AMEN1
SCHEMBL6361820 0.82 ITGB3 (0.41) ECE1
SCHEMBL6356970 0.82 P2RY14 (0.56) P2RY14KMT2APOLBMEN1KDM4E
SCHEMBL6362113 0.82 ALDH1A1 (0.38) KMT2APOLBMEN1KDM4EMAPT
SCHEMBL6357946 0.82 ALDH1A1 (0.38) KMT2APOLBMEN1KDM4EMAPT
SCHEMBL6361418 0.81 TMPRSS15 (0.42) KMT2APOLBMEN1
SCHEMBL6355462 0.80 ALDH1A1 (0.43) KMT2APOLBMEN1MAPT
SCHEMBL6353468 0.80 ALDH1A1 (0.43) KMT2APOLBMEN1MAPT

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 P2RY14 1138/4885KMT2A 1425/4885ECE1 1817/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 P2RY14 1138/4885KMT2A 1425/4885ECE1 1817/4885

“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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