SCHEMBL5774176

SCHEMBL5774176

O=C(O)CCc1ccc(-n2nc3c4ccccc4[nH]cc-3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ LDHA P00338 1/20 0.42
▸ ADAM17 P78536 1/20 0.41
▸ FFAR1 O14842 2/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 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
SCHEMBL5775365 0.89 SLC6A2 (0.41) SIRT2MAPTKMT2ACNR2ALDH1A1
SCHEMBL29896410 0.83 ALDH1A1 (0.50) SIRT2MAPTKMT2ACNR2ALDH1A1
SCHEMBL1466280 0.83 ALDH1A1 (0.50) SIRT2MAPTKMT2ACNR2ALDH1A1
SCHEMBL5775440 0.83 KDM1A (0.45) ADAM17MAPTKMT2AALDH1A1
SCHEMBL5773359 0.83 HTT (0.53) MAPTKMT2AALDH1A1
SCHEMBL5774924 0.82 MAPT (0.45) MAPTKMT2AALDH1A1
SCHEMBL7308745 0.81 AR (0.41) SIRT2MAPTKMT2AALDH1A1
SCHEMBL7308476 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7308514 0.79 GAA (0.51) ABCB1MAPTKMT2AALDH1A1
SCHEMBL7306658 0.79 PDPK1 (0.42) SIRT2MAPTKMT2ACNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409485-B1 IMMUNOMODULATING COMPOUNDS ACTIVE BIOTECH AB (SE) 2006-04-26 — — EP claimed
US-6642249-B2 3-Oxo-pyrazolo(4,3-c) -quinolin-2-yl, -thiochroman-2-yl, or -chromen-2-yl derivatives; CD80 antagonists ACTIVE BIOTECH AB (SE) 2003-11-04 — — US claimed
US-20030022913-A1 Novel immunomodulating compounds ACTIVE BIOTECH AB (SE) 2003-01-30 — — US claimed
EP-1409485-B1 IMMUNOMODULATING COMPOUNDS ACTIVE BIOTECH AB (SE) 2006-04-26 — — EP disclosed
US-6642249-B2 3-Oxo-pyrazolo(4,3-c) -quinolin-2-yl, -thiochroman-2-yl, or -chromen-2-yl derivatives; CD80 antagonists ACTIVE BIOTECH AB (SE) 2003-11-04 — — US disclosed
US-20030022913-A1 Novel immunomodulating compounds ACTIVE BIOTECH AB (SE) 2003-01-30 — — 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 (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-20030022913-A1 Novel immunomodulating compounds CD40, ICOS, CD40LG PPARD 427/4885PPARA 811/4885LDHA 3988/4885

“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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