SCHEMBL7222358

SCHEMBL7222358

CCN(CC)CC(=O)c1c[nH]c(C(=O)c2ccccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ POLB P06746 1/20 0.54
▸ MTNR1A P48039 1/20 0.54
▸ MTNR1B P49286 1/20 0.54
▸ HPGD P15428 1/20 0.52
▸ MAPK7 Q13164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ AGTR1 P30556 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ DOT1L Q8TEK3 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL10939194 0.77 ALDH1A1 (0.67) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL10942225 0.76 ALDH1A1 (0.60) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL29190977 0.72 ALDH1A1 (0.76) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL7225291 0.71 ALDH1A1 (0.39) ALDH1A1POLBKDM4EMAPTAGTR1
SCHEMBL29191090 0.70 ALDH1A1 (0.68) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL5537011 0.70 ALDH1A1 (0.56) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL4101059 0.67 ALDH1A1 (0.79) ALDH1A1HPGDKDM4EMAPTAGTR1
SCHEMBL28205703 0.66 TP53 (0.54) ALDH1A1POLBHPGDTP53CYP1A2
Hydrochloric Acid SCHEMBL9736036 0.66 ALDH1A1 (0.77) ALDH1A1HPGDKDM4EMAPTAGTR1
SCHEMBL5954613 0.66 TP53 (0.50) ALDH1A1POLBHPGDKDM4EMAPT

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-6573267-B2 Central nervous system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-03 — — US disclosed
US-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-02-14 — — US disclosed
WO-2002002521-A2 AROYL AMINOACYL PYRROLE COMPOUNDS AND THEIR PHARMACEUTICAL USE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 — — 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 (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-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ABAT, GAP43, AADAT ALDH1A1 1563/4885POLB 3300/4885MTNR1A 214/4885

“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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