SCHEMBL906544

SCHEMBL906544

c1ccc([C](c2ccccc2)N2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.66
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCC1 P33527 1/20 0.41
OPRD1 P41143 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL2463342 0.81 SIGMAR1 (0.63) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL13464772 0.81 SIGMAR1 (0.63) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL27890355 0.79 HPGD (0.54) SIGMAR1USP2ALDH1A1MEN1KMT2A
SCHEMBL894920 0.79 SIGMAR1 (1.00) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL14666451 0.79 SIGMAR1 (0.61) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL28393 0.79 SIGMAR1 (1.00) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL2425734 0.79 SIGMAR1 (0.61) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL1733099 0.79 SIGMAR1 (0.61) SIGMAR1POLBUSP2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1597474 0.78 SIGMAR1 (0.96) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL28817771 0.78 SIGMAR1 (0.59) SIGMAR1POLBUSP2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2020-08-18 US disclosed
EP-3312292-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2019-09-25 EP disclosed
EP-1885875-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2019-05-22 EP disclosed
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-01-31 US disclosed
US-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2018-09-18 US disclosed
EP-3312292-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS Promega Corporation (US) 2018-04-25 EP disclosed
EP-2778234-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2017-09-27 EP disclosed
EP-2545041-B1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORP (US) 2017-08-02 EP disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 US disclosed
EP-2331517-B1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORP (US) 2016-06-08 EP disclosed
EP-2277872-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-26 EP disclosed
EP-2272973-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
EP-2272972-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
US-20100075351-A1 BIOLUMINESCENT DETECTION OF CYANOHYDROXY BENZOTHIAZOLE COMPOUNDS PROMEGA CORPORATION (US) 2010-03-25 US disclosed
WO-2010030343-A1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORPORATION (US) 2010-03-18 WO disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US disclosed
EP-1935986-A2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-06-25 EP disclosed
EP-1885875-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2008-02-13 EP disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
WO-2006130551-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2006-12-07 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 (7 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-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD SIGMAR1 3249/4885POLB 3502/4885USP2 2864/4885
US-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD SIGMAR1 3156/4885POLB 3487/4885USP2 2898/4885
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD SIGMAR1 3249/4885POLB 3502/4885USP2 2864/4885
US-20100075351-A1 BIOLUMINESCENT DETECTION OF CYANOHYDROXY BENZOTHIAZOLE COMPOUNDS BLVRB, BTD, BBOX1 SIGMAR1 3747/4885POLB 2286/4885USP2 527/4885
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD SIGMAR1 3249/4885POLB 3502/4885USP2 2864/4885
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD SIGMAR1 3156/4885POLB 3487/4885USP2 2898/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD SIGMAR1 3481/4885POLB 3760/4885USP2 2508/4885

“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.