SCHEMBL6243284

SCHEMBL6243284

CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
BRD4 O60885 2/20 0.48
CREBBP Q92793 1/20 0.48
GLS O94925 3/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
AOC3 Q16853 2/20 0.44
GRM2 Q14416 1/20 0.43
KDM4A O75164 1/20 0.42
PADI3 Q9ULW8 1/20 0.42
PADI4 Q9UM07 1/20 0.42
NAMPT P43490 2/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
DRD1 P21728 1/20 0.41
HPN P05981 1/20 0.40

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
SCHEMBL30504293 0.90 HDAC1 (0.56) HDAC1BRD4CREBBPGLSCTSB
SCHEMBL26508626 0.88 HDAC1 (0.56) HDAC1BRD4CREBBPGLSCTSB
SCHEMBL27592964 0.87 AOC3 (0.48) HDAC1AOC3PADI3PADI4DRD1
SCHEMBL18664426 0.87 HDAC1 (0.60) HDAC1BRD4CREBBPGLSCTSB
SCHEMBL19479497 0.87 CTSS (0.44) HDAC1BRD4CREBBPGLSCTSB
SCHEMBL2568359 0.86 HDAC1 (0.56) HDAC1BRD4CREBBPGLSCTSB
SCHEMBL209838 0.86 GLS (0.52) HDAC1BRD4CREBBPGLSGRM2
SCHEMBL29952891 0.86 GLS (0.52) HDAC1BRD4CREBBPGLSGRM2
SCHEMBL18664572 0.85 GRM2 (0.54) HDAC1BRD4CREBBPGLSCTSB
SCHEMBL6242494 0.85 HDAC1 (0.55) HDAC1BRD4CREBBPGLSCTSB

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
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 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 (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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 HDAC1 2137/4885BRD4 1583/4885CREBBP 3453/4885

“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.