SCHEMBL6235800

SCHEMBL6235800

O=c1c(Br)cc(Cl)cn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK10 P53779 2/20 0.46
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
BRD4 O60885 3/20 0.43
MAPK14 Q16539 1/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL15816469 0.85 ADRA1D (0.51) ADRA1DALDH1A1MAPK10KDM4EUSP2
SCHEMBL29001267 0.82 MAPK10 (0.51) ALDH1A1MAPK10KDM4EUSP2BRD4
SCHEMBL1191685 0.82 MAPK10 (0.45) ADRA1DALDH1A1MAPK10KDM4EUSP2
SCHEMBL15815917 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EMAPK14MAPTMEN1
SCHEMBL2285071 0.78 ADRA1D (0.59) ADRA1DALDH1A1BRD4MAPTLMNA
SCHEMBL15836993 0.77 ALDH1A1 (0.50) ADRA1DALDH1A1MAPK10KDM4EBRD4
SCHEMBL20709920 0.75 BRD4 (0.53) ADRA1DBRD4
Ethane SCHEMBL13370815 0.75 ALDH1A1 (0.51) ALDH1A1MAPK10KDM4EBRD4MAPT
SCHEMBL16899407 0.74 MAPK14 (0.53) ALDH1A1KDM4EBRD4MAPK14MAPT
SCHEMBL5812520 0.73 L3MBTL1 (0.52) MAPK14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
CN-1196682-C 4-pyridyl-N-acyl-L-phenylalanine HOFFMANN LA ROCHE (CH) 2005-04-13 CN disclosed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US disclosed
CN-1402709-A 4-pyridinyl-N-acyl-L-phenylalanines HOFFMANN LA ROCHE (CH) 2003-03-12 CN disclosed
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 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-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG ADRA1D 327/4885ALDH1A1 81/4885MAPK10 2208/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG ADRA1D 327/4885ALDH1A1 81/4885MAPK10 2208/4885

“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.