SCHEMBL4792500

SCHEMBL4792500

CC(C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HDAC4 P56524 5/20 0.44
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL11022724 0.85 HDAC3 (0.44) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL16758640 0.85 NPC1 (0.46) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL11022744 0.83 MAPT (0.41) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL9757149 0.80 MAPT (0.47) MAPTHDAC4ALDH1A1LMNANPC1
SCHEMBL10480315 0.79 MAPT (0.46) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL2123396 0.79 MAPT (0.50) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL11821238 0.79 RAB9A (0.44) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL11800389 0.79 RAB9A (0.42) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL2147325 0.78 MAPT (0.48) MAPTHDAC4HDAC3HDAC1HDAC7
SCHEMBL86097 0.78 MAPT (0.48) MAPTHDAC4GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US claimed
JP-54098798-A None JP disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
EP-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
US-4943645-A Benzoquinone derivatives and production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-07-24 US disclosed
US-4874752-A INHIBIT COLLAGEN BIOSYNTHESIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-17 US disclosed
US-4808339-A ARTHRITIS, ASTHMA, CIRRHOSIS, RHINITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
US-4751303-A INHIBIT COLLAGEN BIOSYNTHESIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-06-14 US disclosed
EP-0092136-B1 BENZOQUINONE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1985-08-28 EP disclosed
US-4526719-A Benzoquinone derivatives and production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-07-02 US disclosed
EP-0092136-A1 Benzoquinone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 EP disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
JP-S5498798-A OXAZOLO(I,J)QUINOLINE DERIVATIVE NIPPON NOHYAKU CO LTD 1979-08-03 JP 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 MAPT 4311/4885HDAC4 1869/4885HDAC3 455/4885

“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.