SCHEMBL3100247

SCHEMBL3100247

Clc1cc(-c2n[nH]cc2Br)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RHEB Q15382 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PDCD1 Q15116 5/20 0.38
CD274 Q9NZQ7 5/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MAPK14 Q16539 2/20 0.37
PTGER1 P34995 1/20 0.36
BRD4 O60885 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5272223 0.85 L3MBTL1 (0.42) GRM4L3MBTL1RHEBRAB9ASMN1; SMN2
SCHEMBL13151327 0.82 PTGER1 (0.48) RHEBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL13151326 0.80 CYP2C9 (0.44) L3MBTL1RHEBSMN1; SMN2MRGPRX4PTGER1
SCHEMBL5269776 0.78 ALDH1A1 (0.46) RHEBMRGPRX4
SCHEMBL13180648 0.77 GLA (0.36) L3MBTL1SMN1; SMN2
SCHEMBL3103763 0.75 L3MBTL1 (0.44) GRM4L3MBTL1RHEBRAB9ASMN1; SMN2
SCHEMBL5272040 0.75 GRM4 (0.43) GRM4L3MBTL1RHEBRAB9ASMN1; SMN2
SCHEMBL5267800 0.73 CDK4 (0.45) L3MBTL1GAA
SCHEMBL5274578 0.72 BRD4 (0.44) GRM4L3MBTL1RHEBRAB9ASMN1; SMN2
SCHEMBL20456174 0.71 L3MBTL1 (0.47) L3MBTL1RHEBRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298488-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2010-11-25 US disclosed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-7799856-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2010-09-21 US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US disclosed
EP-1567151-B1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS CAMBRIDGE LTD (GB) 2006-03-15 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 (2 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-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer HSP90AB1, HSP90AA1, HSP90AB2P GRM4 4309/4885L3MBTL1 2768/4885RHEB 1455/4885
US-20100298488-A1 RUBBER COMPOSITION RAD50, RAD54L, VCL GRM4 1675/4885L3MBTL1 2946/4885RHEB 363/4885

“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.