SCHEMBL5635573

SCHEMBL5635573

CCCCOC(=O)n1ccc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
BCHE P06276 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 8/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 2/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43

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
SCHEMBL7169526 0.91 NOTUM (0.56) NOTUMBCHEKMT2AMEN1TSHR
SCHEMBL30109103 0.86 NOTUM (0.61) NOTUMBCHEKMT2ATSHRL3MBTL1
SCHEMBL600415 0.86 NOTUM (0.61) NOTUMBCHEKMT2ATSHRL3MBTL1
Hydrochloric Acid SCHEMBL7492690 0.83 NOTUM (0.57) NOTUMBCHEKMT2ATSHRL3MBTL1
Hydrochloric Acid SCHEMBL7492685 0.83 NOTUM (0.57) NOTUMBCHEKMT2AMEN1TSHR
SCHEMBL18714610 0.82 KMT2A (0.50) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL30659324 0.81 L3MBTL1 (0.46) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL4795562 0.81 MTNR1A (0.48) BCHEKMT2AMEN1TSHRMAPT
SCHEMBL27729357 0.81 TSHR (0.47) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL30546903 0.79 NOTUM (0.49) NOTUMKMT2ATSHRL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
EP-1689710-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
CN-1252065-C Cinnoline compounds ASTRAZENECA AB (SE) 2006-04-19 CN disclosed
CN-1245402-C indole derivatives, process for their preparation, pharmaceutical compositions containing them and their use ASTRAZENECA AB (SE) 2006-03-15 CN disclosed
WO-2005051908-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2005-06-09 WO disclosed
CN-1468230-A Compound (I) 2004-01-14 CN disclosed
CN-1446214-A Cinnoline compounds ASTRAZENECA AB (SE) 2003-10-01 CN 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-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 NOTUM 1490/4885BCHE 2543/4885KMT2A 1438/4885

“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.