SCHEMBL1376459

SCHEMBL1376459

[CH2]c1ccc(OC(=O)Nc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
GAA P10253 2/20 0.70
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
RAB9A P51151 1/20 0.64
MAPT P10636 2/20 0.60
RAD51 Q06609 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
GFER P55789 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.54
FAAH O00519 6/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 1/20 0.51
PORCN Q9H237 1/20 0.51

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
SCHEMBL95682 0.93 ALDH1A1 (0.70) ALDH1A1GAAHTTSMN1; SMN2RAB9A
Phenyl Phenylcarbamate SCHEMBL272994 0.87 ALDH1A1 (0.76) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL9268642 0.84 ALDH1A1 (0.72) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL9480270 0.84 ALDH1A1 (0.72) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL97442 0.83 GAA (0.51) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL95221 0.83 GAA (0.51) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL94538 0.83 SMN1; SMN2 (0.71) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL94772 0.83 FAAH (0.62) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL95577 0.83 ALDH1A1 (0.53) ALDH1A1GAAHTTSMN1; SMN2RAB9A
SCHEMBL8063648 0.83 ALDH1A1 (0.82) ALDH1A1GAAHTTSMN1; SMN2RAB9A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4722360-B2 2011-07-13 JP claimed
EP-1278520-B1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2006-03-01 EP claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
JP-2003527336-A 2003-09-16 JP claimed
EP-1278520-A4 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2003-05-02 EP claimed
EP-1278520-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS Merck & Co., Inc. (US) 2003-01-29 EP claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
WO-2001034149-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
EP-1278520-B1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2006-03-01 EP disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
EP-1278520-A4 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2003-05-02 EP disclosed
EP-1278520-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS Merck & Co., Inc. (US) 2003-01-29 EP disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
US-6291480-B1 CONTROL OF COCCIDIOSIS IN POULTRY. MERCK & CO., INC. 2001-09-18 US disclosed
WO-2001034149-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885GAA 2920/4885HTT 3064/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885GAA 2920/4885HTT 3064/4885

“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.