SCHEMBL571871

SCHEMBL571871

COc1cc2nc(CBr)c(=O)n(C)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.36
S100B P04271 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
TSHR P16473 2/20 0.35
PGK1 P00558 2/20 0.34
NQO2 P16083 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL29600727 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL22401705 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL449675 0.80 HDAC6 (0.37) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL30690930 0.80 HDAC6 (0.37) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL21523292 0.79 HDAC6 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL29751992 0.76 HDAC6 (0.44) ALDH1A1KDM4EMAPTMAPK1HDAC6
SCHEMBL9700631 0.75 NQO2 (0.52) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL10808616 0.75 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL10808625 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL10479158 0.73 MAPT (0.52) ALDH1A1SMN1; SMN2KDM4EGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601048-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS The Sun Products Corporation (US) 2013-06-12 EP disclosed
US-20120196375-A1 Compositions and Methods for Detection of Soils on Fabrics THE SUN PRODUCTS CORPORATION (US) 2012-08-02 US disclosed
WO-2012019030-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS THE SUN PRODUCTS CORPORATION (US) 2012-02-09 WO disclosed
US-7981686-B2 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2011-07-19 US disclosed
US-20100184122-A1 INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESSING BODY ODOR KAO CORPORATION (JP) 2010-07-22 US disclosed
US-20060160240-A1 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2006-07-20 US disclosed
EP-1553411-A1 INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR Kao Corporation (JP) 2005-07-13 EP disclosed
EP-1181283-B1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMA (US) 2005-02-02 EP disclosed
US-6620828-B2 Antiproliferative agents AGOURON PHARMACEUTICALS, INC. 2003-09-16 US disclosed
US-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-02-28 US disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US 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-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use BRAF, CDK2, CHUK ALDH1A1 2580/4885SMN1; SMN2 4704/4885KDM4E 2918/4885

“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.