SCHEMBL5700488

SCHEMBL5700488

C=C(C)c1ccncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.34
GSK3B P49841 2/20 0.34
SIRT3 Q9NTG7 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 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
SCHEMBL5700417 0.83 ROCK2 (0.47) GAAROCK2ROCK1KDM4CMAPT
SCHEMBL16852630 0.80 TDP1 (0.41) GAAROCK2ROCK1KDM4CKDM4E
SCHEMBL1891569 0.79 ROCK2 (0.47) GAAROCK2ROCK1KDM4CKDM4E
SCHEMBL31068950 0.75 KDM4E (0.57) GAAKDM4CKDM4EALDH1A1MAPT
SCHEMBL526501 0.75 CCNC (0.36) GAAKDM4CKDM4EALDH1A1MAPT
SCHEMBL19273667 0.75 LOXL2 (0.39) GAAKDM4CKDM4EALDH1A1MAPT
SCHEMBL5700390 0.75 MAPT (0.39) GAAKDM4CKDM4EALDH1A1MAPT
SCHEMBL14387013 0.75 GAA (0.44) GAAROCK2ROCK1KDM4CKDM4E
SCHEMBL28765181 0.75 ROCK2 (0.44) GAAROCK2ROCK1KDM4CKDM4E
SCHEMBL9768777 0.75 GAA (0.44) GAAROCK2ROCK1KDM4CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 GAA 3051/4885ROCK2 3874/4885ROCK1 4205/4885

“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.