SCHEMBL4080102

SCHEMBL4080102

N#Cc1cccc(-c2ccc(C=O)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CHEK1 O14757 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ADRA2C P18825 1/20 0.40
EIF4E P06730 1/20 0.39
PGR P06401 1/20 0.39
ALDH1A3 P47895 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MAOB P27338 2/20 0.37
PRF1 P14222 1/20 0.37
BRD4 O60885 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
SCHEMBL13638172 0.82 ALDH1A1 (0.53) ALDH1A1ALDH1A3MEN1MAPTKMT2A
SCHEMBL30679643 0.80 ALDH1A1 (0.50) ALDH1A1ALDH1A3MEN1MAPTKMT2A
SCHEMBL15821011 0.79 TRIM24 (0.49) ALDH1A1CHEK1CLK4PGRXDH
SCHEMBL5849310 0.78 XDH (0.50) CHEK1CLK4PGRXDHSLC22A12
SCHEMBL30185446 0.77 ALDH1A1 (0.55) ALDH1A1ALDH1A3MEN1KMT2A
SCHEMBL30185447 0.77 ALDH1A1 (0.55) ALDH1A1ALDH1A3MEN1KMT2A
SCHEMBL4035480 0.77 ALDH1A1 (0.55) ALDH1A1ALDH1A3MEN1KMT2A
SCHEMBL25613984 0.77 ALDH1A1 (0.55) ALDH1A1ALDH1A3MEN1KMT2AMAOB
SCHEMBL1812724 0.76 ALDH1A1 (0.47) ALDH1A1PTGDR2MAOBMAOA
SCHEMBL28022368 0.76 ADRA2C (0.59) ALDH1A1CHEK1PTGDR2CLK4ADRA2C

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 ALDH1A1 1390/4885CHEK1 4804/4885PTGDR2 137/4885

“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.