SCHEMBL488077

SCHEMBL488077

Fc1ccc(NC2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
PLK4 O00444 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PDE4B Q07343 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
MAPK14 Q16539 3/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
OPRL1 P41146 1/20 0.38
CSNK1D P48730 1/20 0.38
AOC3 Q16853 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL24896368 0.89 BACE1 (0.44) MAPK1SMN1; SMN2KDM1ADDB1CRBN
SCHEMBL539395 0.85 DDB1 (0.46) MAPK1LMNADDB1CRBNHSD17B10
Hydrochloric Acid SCHEMBL1918398 0.83 DDB1 (0.44) MAPK1LMNADDB1CRBNHSD17B10
SCHEMBL1566071 0.81 MAPT (0.53) MAPK1LMNADDB1CRBNHSD17B10
SCHEMBL178453 0.80 MAPK1 (0.53) MAPK1PLK4LMNASMN1; SMN2POLB
SCHEMBL657241 0.80 LMNA (0.45) MAPK1PLK4LMNABACE1BACE2
SCHEMBL657242 0.80 MAPK1 (0.44) MAPK1PLK4LMNAPOLBOPRL1
SCHEMBL23247149 0.80 PLK4 (0.54) MAPK1PLK4LMNADDB1CRBN
SCHEMBL18129725 0.80 KDM1A (0.51) MAPK1PLK4LMNASMN1; SMN2KDM1A
SCHEMBL7837054 0.79 NPC1 (0.56) MAPK1LMNAHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 EP disclosed
EP-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 EP disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
EP-1883402-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-02-06 EP disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
WO-2006109075-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 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 (3 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P MAPK1 298/4885PLK4 757/4885LMNA 4240/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 MAPK1 1357/4885PLK4 2550/4885LMNA 3973/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P MAPK1 754/4885PLK4 2513/4885LMNA 3688/4885

“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.