SCHEMBL49570

SCHEMBL49570

CCc1ccccc1[N]c1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
MGLL Q99685 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9865745 0.86 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21102318 0.84 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15274890 0.84 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7053823 0.82 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL944030 0.82 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4243231 0.80 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13170477 0.80 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16864159 0.80 GABRA1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3423038 0.80 CYP3A4 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL722841 0.78 GABRA1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070235725-A1 Ethynylene acene polymers and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
US-8129467-B2 Curing accelerating compound-silica composite material, method for producing curing accelerating compound-silica composite material, curing accelerator, curable resin composition, and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8013052-B2 Curable resin, production method thereof, epoxy resin composition, and electronic device HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-09-06 US disclosed
US-7795373-B2 Ethynylene acene polymers XEROX CORPORATION (US) 2010-09-14 US disclosed
US-7586120-B2 Ethynylene acene polymers and electronic devices generated therefrom XEROX CORPORATION (US) 2009-09-08 US disclosed
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 US disclosed
US-20090023855-A1 NOVEL CURABLE RESIN, PRODUCTION METHOD THEREOF, EPOXY RESIN COMPOSITION, AND ELECTRONIC DEVICE RESONAC CORPORATION (JP) 2009-01-22 US disclosed
US-20070235725-A1 Ethynylene acene polymers and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US disclosed
US-20070238855-A1 Ethynylene acene polymers XEROX CORPORATION (US) 2007-10-11 US disclosed
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 EP 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-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE NCAPH, RAD51, H1-2 SIGMAR1 1519/4885GRIN2D 264/4885GRIN3B 1081/4885

“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.