SCHEMBL8931493

SCHEMBL8931493

COc1cc(OC)c(C(C)C)cc1/C(=N/N)Nc1ccc2c(c1)c(C)cn2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 7/20 0.40
CA2 P00918 2/20 0.37
CHRNA7 P36544 1/20 0.36
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
EPHX2 P34913 3/20 0.34
PPARG P37231 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
CNR1 P21554 2/20 0.33
MEN1 O00255 1/20 0.33
PTGES O14684 1/20 0.33
XPO1 O14980 1/20 0.33
SLC22A2 O15244 1/20 0.33
ABCC4 O15439 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL12832377 1.00 CA9 (0.40) CA9CA2CHRNA7POLBGAA
SCHEMBL8931486 0.87 CHRNA7 (0.36) CA9CA2CHRNA7POLBEPHX2
SCHEMBL8931491 0.87 KMT2A (0.46) CA9CA2CHRNA7POLBMEN1
SCHEMBL14184179 0.82 NOTUM (0.40) CHRNA7MEN1MAPTCYP2C9MAPK1
SCHEMBL13983493 0.78 KCNK3 (0.43) CA9CA2CHRNA7POLBMEN1
SCHEMBL18430743 0.72 POLB (0.46) POLBGAAGFERMEN1MAPT
SCHEMBL1305054 0.67 MAOB (0.46) CHRNA7MEN1MAPTCYP2C9MAPK1
SCHEMBL4931031 0.67 KMT2A (0.53) CHRNA7POLBMEN1MAPTMAPK1
SCHEMBL14184178 0.67 NOTUM (0.43) CHRNA7MEN1MAPTHTR2BRECQL
SCHEMBL8931481 0.66 HSP90AA1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US disclosed
US-8063083-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2011-11-22 US disclosed
US-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-11-04 US disclosed
US-7825148-B2 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer SYNTA PHARMACEUTICALS CORP. (US) 2010-11-02 US disclosed
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2010-10-28 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (5 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-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 CA9 2577/4885CA2 1747/4885CHRNA7 3563/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P CA9 3841/4885CA2 3131/4885CHRNA7 4851/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 CA9 3858/4885CA2 3209/4885CHRNA7 4759/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 CA9 3145/4885CA2 2206/4885CHRNA7 4877/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 CA9 3797/4885CA2 3305/4885CHRNA7 4846/4885

“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.