SCHEMBL3978334

SCHEMBL3978334

CCCc1c(C(=O)NCc2ccc(-c3ccc(OCC#N)c(Br)c3)cc2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 4/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL3971826 0.90 ALDH1A1 (0.48) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL3970085 0.86 ALDH1A1 (0.44) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL3973962 0.85 ALDH1A1 (0.46) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL3972889 0.84 HPGD (0.51) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL3971476 0.80 ALDH1A1 (0.58) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL5995027 0.79 HPGD (0.57) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL4672321 0.76 PTPN1 (0.49) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL3970328 0.75 ALDH1A1 (0.55) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL4670702 0.75 ALDH1A1 (0.56) MAPK14ALDH1A1MAPK1MAPTHPGD
SCHEMBL4672311 0.74 ALDH1A1 (0.47) MAPK14ALDH1A1MAPK1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 MAPK14 4213/4885ALDH1A1 388/4885MAPK1 4608/4885

“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.