SCHEMBL6353572

SCHEMBL6353572

Cc1cc(Cl)cc(NC(=O)Cc2ccc(OC3(C(=O)O)CCCC3C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NLRP3 Q96P20 3/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6357186 0.93 ALDH1A1 (0.41) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6353574 0.84 RORC (0.39) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6353569 0.82 MAPT (0.40) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6362873 0.78 ALDH1A1 (0.40) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6353570 0.77 RORC (0.40) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6357188 0.77 ALDH1A1 (0.41) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6358099 0.77 ALDH1A1 (0.39) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL7906816 0.75 NPC1 (0.46) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6358103 0.75 ALDH1A1 (0.45) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6362031 0.75 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2AKDM4E

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 7 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
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
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 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 (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 RORC 310/4885MAPT 4231/4885ALDH1A1 4454/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 RORC 310/4885MAPT 4231/4885ALDH1A1 4454/4885

“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.