SCHEMBL586180

SCHEMBL586180

Nc1cccc2c1C[N]C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.42
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
PIK3CA P42336 1/20 0.33
HTR5A P47898 7/20 0.32

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
SCHEMBL586954 0.81 CD44 (0.47) CD44ALDH1A1HPGDKDM4EMAPT
SCHEMBL303274 0.74 CD44 (0.40) CD44ALDH1A1HPGDKDM4EMAPT
SCHEMBL585448 0.73 TRPA1 (0.40)
SCHEMBL585917 0.73 DRD2 (0.40) HTR5A
SCHEMBL6227703 0.73 HTR5A (0.39) ALDH1A1HPGDKDM4ETSHRSMN1; SMN2
SCHEMBL5545626 0.73 TDP2 (0.32)
SCHEMBL586018 0.73 HTR5A (0.43) LMNATSHRHTR5AHTR1AHTR1D
SCHEMBL6229444 0.73 BCL2L1 (0.48) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL12328333 0.70
SCHEMBL10348095 0.70 CD44 (0.48) CD44ALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-20160045490-A1 USE OF CHEMOTHERAPEUTIC AGENTS BAYER INNOVATION GMBH (DE) 2016-02-18 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8975275-B2 Use of chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2015-03-10 US disclosed
US-20140287028-A1 Use of Chemotherapeutic Agents BAYER INNOVATION GMBH (DE) 2014-09-25 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
US-20100330165-A1 USE OF CHEMOTHERAPEUTIC AGENTS BAYER INNOVATION GMBH (DE) 2010-12-30 US disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-20070197501-A1 Use Of Chemotherapeutic Agents BAYER INNOVATION GMBH (DE) 2007-08-23 US disclosed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
US-20030045544-A1 Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives BAYER INNOVATION GMBH (DE) 2003-03-06 US disclosed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 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 (8 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-20100330165-A1 USE OF CHEMOTHERAPEUTIC AGENTS TYMP, TP53, MSH2 CD44 206/4885ALDH1A1 725/4885HPGD 1156/4885
US-20030045544-A1 Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives NQO2, BROX, CYP4X1 CD44 4837/4885ALDH1A1 1931/4885HPGD 569/4885
US-20070197501-A1 Use Of Chemotherapeutic Agents TYMP, TP53, MSH2 CD44 206/4885ALDH1A1 725/4885HPGD 1156/4885
US-20140287028-A1 Use of Chemotherapeutic Agents TYMP, TP53, MSH2 CD44 206/4885ALDH1A1 725/4885HPGD 1156/4885
US-20160045490-A1 USE OF CHEMOTHERAPEUTIC AGENTS TYMP, TP53, MSH2 CD44 206/4885ALDH1A1 725/4885HPGD 1156/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CD44 3678/4885ALDH1A1 1913/4885HPGD 903/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CD44 3678/4885ALDH1A1 1913/4885HPGD 903/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CD44 3678/4885ALDH1A1 1913/4885HPGD 903/4885

“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.