SCHEMBL1468045

SCHEMBL1468045

CN(C)c1cccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.58
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 4/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MCL1 Q07820 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA2B P08514 1/20 0.53
ITGB5 P18084 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 3/20 0.51
KMT2A Q03164 3/20 0.51

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
SCHEMBL19077951 0.91 MAPT (0.53) NR1H4MAPTALDH1A1ALOX15RAB9A
SCHEMBL1468706 0.85 MAPK14 (0.52) MAPTALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL10102735 0.85 NR1H4 (0.70) NR1H4MAPTALDH1A1ALOX15RAB9A
SCHEMBL13618528 0.84 MEN1 (0.72) NR1H4MAPTALDH1A1RAB9ANPC1
SCHEMBL10102714 0.82 NR1H4 (0.72) NR1H4RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2060736 0.81 NR1H4 (0.58) NR1H4ALDH1A1SMN1; SMN2MAPK1ITGB3
SCHEMBL13593586 0.81 NR1H4 (0.58) NR1H4ALDH1A1SMN1; SMN2MAPK1ITGB3
SCHEMBL13814818 0.81 NR1H4 (0.58) NR1H4MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL14595003 0.81 ITGB3 (0.59) NR1H4ALDH1A1SMN1; SMN2MAPK1ITGB3
SCHEMBL5659023 0.81 NPC1 (0.66) NR1H4ALDH1A1RAB9ASMN1; SMN2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US disclosed
US-9370492-B2 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. (US) 2016-06-21 US disclosed
US-8722723-B2 Aromatic amide derivative RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110071304-A1 AROMATIC AMIDE DERIVATIVE RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-03-24 US disclosed
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. 2007-03-01 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 (3 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-20110071304-A1 AROMATIC AMIDE DERIVATIVE NCOR2, NCOR1, EP300 NR1H4 730/4885MAPT 3909/4885ALDH1A1 1601/4885
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers SLC1A5, SLC7A5, SLC7A1 NR1H4 682/4885MAPT 3604/4885ALDH1A1 4141/4885
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 NR1H4 1587/4885MAPT 3620/4885ALDH1A1 3725/4885

“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.